Propylthiouracil

CAS Number: 51-52-5

Molecular Mass: 170.23 g/mol

Formula: C₇H₁₀N₂OS

Smiles: CCCc1cc(=O)[nH]c(=S)[nH]1

Synonymes:

Propylthiouracil, propylthiouracil, 51-52-5, 6-Propyl-2-thiouracil, Propacil, Prothyran, Procasil, Propycil, Prothiurone, Thiuragyl, Prothiucil, Protiural, Prothycil, Propyl-Thiorist, Propyl-Thyracil, 6-Propylthiouracil, Thyreostat II, Propythiouracil, Propilthiouracil, 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, Propyl-Thiorit, Propylthiorit, Propylthiouracile, 6-Thio-4-propyluracil, Propiltiouracilo, 4-Propyl-2-thiouracil, Propylthiouracilum, 2-Mercapto-6-propyl-4-pyrimidone, Propiltiouracile, 2-Mercapto-6-propylpyrimid-4-one, 2-Thio-6-propyl-1,3-pyrimidin-4-one, 2-Thio-4-oxo-6-propyl-1,3-pyrimidine, 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone, 4-Hydroxy-2-mercapto-6-propylpyrimidine, PROPYL THIOURACIL, 2-Mercapto-4-hydroxy-6-n-propylpyrimidine, 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione, NSC-6498, 4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-, NSC-70461, CHEBI:8502, DTXSID5021209, 721M9407IY, DTXCID101209, NSC70461, 6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, 6 Propyl 2 Thiouracil, RefChem:55928, H03BA02, 200-103-2, 2-Mercapto-6-propylpyrimidin-4-ol, 6-N-Propylthiouracil, 6-N-Propyl-2-thiouracil, PTU (thyreostatic), 6-Propil-tiouracile, Uracil, 6-propyl-2-thio-, MFCD00006041, 500-50-5, NSC 6498, 6-propyl-2-sulfanylpyrimidin-4-ol, 2-mercapto-6-propylpyrimidin-4(3H)-one, MLS000028494, CAS-51-52-5, 6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, NCGC00022715-03, SMR000058275, Propiltiouracile [DCIT], 6-n-Propylthiouracil, 6-Propyl-2-thiouracil, PTU, WLN: T6MYMVJ BUS F3, 6-Propil-tiouracile [Italian], Propiltiouracilo [INN-Spanish], Propylthiouracile [INN-French], Propylthiouracilum [INN-Latin], 6-Propyl-2-thio-2,3H)-pyrimidinedione, CCRIS 544, HSDB 3390, SR-05000001706, 4(1H)-Pyrimidinone,3-dihydro-6-propyl-2-thioxo-, EINECS 200-103-2, 6-(n-Propyl)-2-thiouracil, AI3-25477, Propylthiouracil, 2,3-dihydro-6-propyl-2-thioxopyrimidin-4(1H)-one, UNII-721M9407IY, Propylthiouracil RS, Prestwick_810, 6-Propyl-2-thioxo-2, 3-dihydropyrimidin-4(1H)-one, Propylthiouracil CRS, Propylthiouracil [USP:INN:BAN:JAN], 6-propyl-2-thioxo-1H-pyrimidin-4-one, Spectrum_000876, Opera_ID_530, 3CJ, Prestwick0_000494, Prestwick1_000494, Prestwick2_000494, Prestwick3_000494, Spectrum2_001302, Spectrum3_001731, Spectrum4_000492, Spectrum5_001815, 6-Propyl-2-thio-2,4(1H,3H)-pyrimidinedione, Propylthiouracil (Standard), 2-THIO-4-HYDROXY-6-N-PROPYL-PYRIMIDINE, CHEMBL1518, SCHEMBL41239, BSPBio_000387, BSPBio_003402, KBioGR_001003, KBioSS_001356, PROPYLTHIOURACIL [MI], MLS002303010, MLS006011901, DivK1c_000268, PROPYLTHIOURACIL [INN], PROPYLTHIOURACIL [JAN], SPECTRUM1500515, SPBio_001363, SPBio_002308, PROPYLTHIOURACIL [HSDB], PROPYLTHIOURACIL [IARC], BPBio1_000427, GTPL6650, orb1309031, orb3140045, SCHEMBL4446870, SCHEMBL4537771, PROPYLTHIOURACIL [VANDF], PROPYLTHIOURACIL [MART.], SCHEMBL17375339, HMS500N10, HY-B0346R, KBio1_000268, KBio2_001356, KBio2_003924, KBio2_006492, KBio3_002622, MSK7141, NSC6498, PROPYLTHIOURACIL [USP-RS], PROPYLTHIOURACIL [WHO-DD], PROPYLTHIOURACIL [WHO-IP], NINDS_000268, HMS1569D09, HMS1766D22, HMS1920L22, HMS2092E03, HMS2096D09, HMS2230B22, HMS3259M04, HMS3371D17, HMS3655J07, HMS3713D09, HMS5080B13, Pharmakon1600-01500515, HY-B0346, Propylthiouracil (JP18/USP/INN), PXB42394, Tox21_110882, Tox21_201741, Tox21_300280, 2-mercapto-6-propyl-pyrimidin-4-ol, AC8761, BDBM50133597, CCG-39240, EBC-06200, EBC-11046, EBC-46021, MFCD00052385, MSK7141-100M, NSC757302, s1988, SBB003855, STL102645, PROPYLTHIOURACIL [EP IMPURITY], PROPYLTHIOURACIL [ORANGE BOOK], 6-Propyl-2-sulfanyl-4-pyrimidinol #, AKOS000120319, AKOS001053246, AKOS015892537, MSK7141-1000M, Tox21_110882_1, 2-thio-4-hydroxy-6-n-propylpyrimidine, BS-3928, DB00550, NC00533, NSC-757302, PROPYLTHIOURACIL [EP MONOGRAPH], PS-3436, 4-hydroxy-6-n-propylpyrimidine-2-thiol, IDI1_000268, PROPYLTHIOURACIL [USP MONOGRAPH], 6-Propyl-2-thiouracil, enzyme inhibitor, NCGC00016229-01, NCGC00016229-02, NCGC00016229-03, NCGC00016229-04, NCGC00016229-05, NCGC00016229-06, NCGC00016229-07, NCGC00016229-08, NCGC00016229-09, NCGC00016229-10, NCGC00016229-11, NCGC00016229-13, NCGC00016229-14, NCGC00090881-01, NCGC00090881-02, NCGC00090881-03, NCGC00178089-01, NCGC00178089-02, NCGC00183321-01, NCGC00254180-01, NCGC00259290-01, NCGC00663696-01, 2-mercapto-4-hydroxy-6-propyl pyrimidine, 6-propyl-2-sulfanyl-1H-pyrimidin-4-one, AC-10795, propylthiouracil / 6-Propyl-2-thiouracil, SMR003317355, SY038617, SBI-0051497.P003, NS00000029, P0533, ST50308196, SW196944-3, EN300-35033, C07569, D00562, 6-propyl-2-sulfanyl-3,4-dihydropyrimidin-4-one, 6-Propyl-2-thiouracil, purum, >=98.0% (T), AB00052082_05, AB00052082_06, Propylthiouracil Solution in Methanol, 100ug/mL, AS-871/40901436, F463632, Propylthiouracil Solution in Methanol, 1000ug/mL, Q377342, 6-propyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, SR-05000001706-1, SR-05000001706-2, SR-05000001706-3, 2,3-dihydro-6-propyl-2-thioxo-Pyrimidin-4(1H)-one, BRD-K48168960-001-04-4, BRD-K48168960-001-05-1, BRD-K48168960-001-08-5, BRD-K48168960-001-18-4, BRD-K48168960-001-19-2, Z56922173, F1967-1318, F2199-0035, F3097-4245, 4(1H)-PYRIMIDINONE,6-BUTYL-2,3-DIHYDRO-2-THIOXO-, 6-Propyl-2-thiouracil, VETRANAL(TM), analytical standard, Propylthiouracil, European Pharmacopoeia (EP) Reference Standard, Propylthiouracil, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	278.15	-	5.015	[107]
1-Propanol	278.15	-	5.707	[108]
1-Propanol	283.15	-	6.014	[107]
1-Propanol	283.15	-	6.538	[108]
1-Propanol	288.15	-	7.161	[107]
1-Propanol	288.15	-	7.306	[108]
1-Propanol	293.15	-	8.482	[107]
1-Propanol	293.15	-	8.258	[108]
1-Propanol	298.15	-	9.994	[107]
1-Propanol	298.15	-	9.514	[108]
1-Propanol	303.15	-	11.71	[107]
1-Propanol	303.15	-	11.17	[108]
1-Propanol	308.15	-	13.66	[107]
1-Propanol	308.15	-	13.1	[108]
1-Propanol	313.15	-	15.86	[107]
1-Propanol	313.15	-	15.43	[108]
1-Propanol	318.15	-	18.33	[107]
1-Propanol	318.15	-	17.78	[108]
1-Propanol	323.15	-	21.1	[107]
1-Propanol	323.15	-	20.43	[108]
1-Propanol	328.15	-	24.19	[107]
1-Propanol	333.15	-	27.63	[107]
Dimethyl sulfoxide	293.15	-	480.7	[109]
Dimethyl sulfoxide	298.15	-	562.8	[109]
Dimethyl sulfoxide	303.15	-	665.5	[109]
Dimethyl sulfoxide	308.15	-	782.9	[109]
Dimethyl sulfoxide	313.15	-	930.5	[109]
Dimethyl sulfoxide	318.15	-	1098.1	[109]
Dimethyl sulfoxide	323.15	-	1308.5	[109]
Dimethyl sulfoxide	328.15	-	1569.6	[109]
Dimethyl sulfoxide	333.15	-	1904.9	[109]
Dimethylformamide	278.15	-	219.3	[108]
Dimethylformamide	283.15	-	255.4	[108]
Dimethylformamide	288.15	-	288.7	[108]
Dimethylformamide	293.15	-	331.6	[108]
Dimethylformamide	293.15	-	311.6	[109]
Dimethylformamide	298.15	-	369.6	[108]
Dimethylformamide	298.15	-	389.1	[109]
Dimethylformamide	303.15	-	401.9	[108]
Dimethylformamide	303.15	-	478.7	[109]
Dimethylformamide	308.15	-	593.8	[109]
Dimethylformamide	313.15	-	742.4	[109]
Dimethylformamide	318.15	-	941.4	[109]
Dimethylformamide	323.15	-	1202.8	[109]
Dimethylformamide	328.15	-	1557.0	[109]
Dimethylformamide	333.15	-	2066.2	[109]
Ethanol	278.15	-	7.436	[107]
Ethanol	278.15	-	9.288	[108]
Ethanol	283.15	-	8.842	[107]
Ethanol	283.15	-	10.79	[108]
Ethanol	288.15	-	10.46	[107]
Ethanol	288.15	-	12.33	[108]
Ethanol	293.15	-	12.31	[107]
Ethanol	293.15	-	14.1	[108]
Ethanol	298.15	-	14.41	[107]
Ethanol	298.15	-	15.34	[108]
Ethanol	303.15	-	16.78	[107]
Ethanol	303.15	-	17.2	[108]
Ethanol	308.15	-	19.44	[107]
Ethanol	308.15	-	20.3	[108]
Ethanol	313.15	-	22.58	[107]
Ethanol	313.15	-	23.17	[108]
Ethanol	318.15	-	26.22	[107]
Ethanol	318.15	-	26.7	[108]
Ethanol	323.15	-	30.07	[107]
Ethanol	323.15	-	31.48	[108]
Ethanol	328.15	-	34.53	[107]
Ethanol	333.15	-	39.7	[107]
Ethylene Glycol	293.15	-	22.34	[109]
Ethylene Glycol	298.15	-	25.88	[109]
Ethylene Glycol	303.15	-	30.52	[109]
Ethylene Glycol	308.15	-	36.08	[109]
Ethylene Glycol	313.15	-	42.09	[109]
Ethylene Glycol	318.15	-	49.05	[109]
Ethylene Glycol	323.15	-	57.01	[109]
Ethylene Glycol	328.15	-	66.69	[109]
Ethylene Glycol	333.15	-	77.79	[109]
Isopropanol	278.15	-	3.51	[107]
Isopropanol	283.15	-	4.231	[107]
Isopropanol	288.15	-	5.066	[107]
Isopropanol	293.15	-	6.031	[107]
Isopropanol	298.15	-	7.138	[107]
Isopropanol	303.15	-	8.408	[107]
Isopropanol	308.15	-	9.853	[107]
Isopropanol	313.15	-	11.48	[107]
Isopropanol	318.15	-	13.33	[107]
Isopropanol	323.15	-	15.4	[107]
Isopropanol	328.15	-	17.74	[107]
Isopropanol	333.15	-	20.35	[107]
Methanol	278.15	-	13.4	[107]
Methanol	278.15	-	24.55	[108]
Methanol	283.15	-	15.88	[107]
Methanol	283.15	-	28.82	[108]
Methanol	288.15	-	18.72	[107]
Methanol	288.15	-	32.49	[108]
Methanol	293.15	-	22.15	[107]
Methanol	293.15	-	37.01	[108]
Methanol	298.15	-	25.97	[107]
Methanol	298.15	-	39.23	[108]
Methanol	303.15	-	30.23	[107]
Methanol	303.15	-	45.25	[108]
Methanol	308.15	-	35.17	[107]
Methanol	308.15	-	52.25	[108]
Methanol	313.15	-	40.36	[107]
Methanol	313.15	-	57.91	[108]
Methanol	318.15	-	45.84	[107]
Methanol	318.15	-	66.59	[108]
Methanol	323.15	-	52.61	[107]
Methanol	323.15	-	75.06	[108]
Methanol	328.15	-	59.52	[107]
Methanol	333.15	-	67.13	[107]
N-Methyl-2-pyrrolidone	293.15	-	162.6	[109]
N-Methyl-2-pyrrolidone	298.15	-	190.0	[109]
N-Methyl-2-pyrrolidone	303.15	-	226.6	[109]
N-Methyl-2-pyrrolidone	308.15	-	266.7	[109]
N-Methyl-2-pyrrolidone	313.15	-	315.5	[109]
N-Methyl-2-pyrrolidone	318.15	-	371.4	[109]
N-Methyl-2-pyrrolidone	323.15	-	442.4	[109]
N-Methyl-2-pyrrolidone	328.15	-	522.8	[109]
N-Methyl-2-pyrrolidone	333.15	-	626.0	[109]
Water	278.15	-	0.453	[107]
Water	278.15	-	0.747	[108]
Water	283.15	-	0.5888	[107]
Water	283.15	-	0.8994	[108]
Water	288.15	-	0.7402	[107]
Water	288.15	-	1.04	[108]
Water	293.15	-	0.9303	[107]
Water	293.15	-	1.179	[108]
Water	298.15	-	1.19	[107]
Water	298.15	-	1.366	[108]
Water	303.15	-	1.472	[107]
Water	303.15	-	1.562	[108]
Water	308.15	-	1.788	[107]
Water	308.15	-	1.804	[108]
Water	313.15	-	2.181	[107]
Water	313.15	-	2.06	[108]
Water	318.15	-	2.679	[107]
Water	318.15	-	2.415	[108]
Water	323.15	-	3.231	[107]
Water	323.15	-	2.755	[108]
Water	328.15	-	3.846	[107]
Water	333.15	-	4.669	[107]

Molecule 3D descriptors

Descriptor	Value
PMI1	338.2443
PMI2	950.5874
PMI3	1279.3727
NPR1	0.2644
NPR2	0.7430
RadiusOfGyration	2.7465
InertialShapeFactor	0.0022
Eccentricity	0.9644
Asphericity	0.4151
SpherocityIndex	0.0800
PBF	0.2527