Ethionamide
CAS Number: 536-33-4
Molecular Mass: 166.25 g/mol
Formula: C8H10N2S
Smiles: CCc1cc(C(N)=S)ccn1
Synonymes:
Ethionamide, ethionamide, 536-33-4, 2-ethylpyridine-4-carbothioamide, Trecator, Ethioniamide, Amidazine, 2-Ethylthioisonicotinamide, Ethyonomide, Etionamid, Etioniamid, Nizotin, Ethylisothiamide, Ethinamide, Trecator-SC, Bayer 5312, Iridocin, Sertinon, Thianide, Trescatyl, Etionid, Teberus, 4-Pyridinecarbothioamide, 2-ethyl-, Etionizin, Etionizine, Amidazin, Ethimide, Iridozin, Thianid, Trekator, Tuberoid, Aetina, Ethina, Tianid, Iridocin Bayer, Aethionamidum, Ethionamidum, Etionamida, 2-ETHYL-4-PYRIDINECARBOTHIOAMIDE, 2-Ethyl-4-thiocarbamoylpyridine, Tio-Mid, Etionamide, 2-Ethylisothionicotinamide, Trecator SC, 2-Ethylisonicotinothioamide, 1314 TH, 2-Ethylisonicotinic acid thioamide, TH 1314, 2-ethyl-4-thiopyridylamide, NCI-C01694, alpha-Ethylisothionicotinamide, alpha-Ethylthioisonicotinamide, 1314-Th, 1314TH, alpha-Ethylisonicotinoylthioamide, Isonicotinamide, 2-ethylthio-, alpha-Ethylisonicotinic acid thioamide, F.I. 58-30, DTXSID0020577, OAY8ORS3CQ, NSC-255115, Isonicotinimidic acid, 2-ethylthio-, NSC255115, DTXCID00577, CHEBI:4885, 5-22-02-00360 (Beilstein Handbook Reference), RefChem:55160, J04AD03, 208-628-9, Thioamide, Etionizina, Rigenicid, Nicotion, Tubermin, Etimid, Etiocidan, Fatoliamid, Isotiamida, Itiocide, Thioniden, Trescazide, Tubenamide, Tuberoson, Aetiva, Isothin, Atina, Ethionamid prothionamid, Thiomid, Nisotin, Etionamide [DCIT], Tiomid, Ethionamidum [INN-Latin], Etionamida [INN-Spanish], 2-Ethyl-thioisonicotinamide, MFCD00057361, 2-Ethyl-4-thioamidylpyridine, MLS000069764, .alpha.-Ethylisothionicotinamide, .alpha.-Ethylthioisonicotinamide, .alpha.-Ethylisonicotinoylthioamide, s1777, 1314 TN, .alpha.-Ethylisonicotinic acid thioamide, 2-ethylpyridine-4-carboximidothioic acid, Ethina (VAN), NCGC00016497-05, CAS-536-33-4, SMR000058716, 2-Ethylisonicotinic thioamide, CCRIS 287, amino(2-ethyl(4-pyridyl))methane-1-thione, HSDB 7473, Bayer5312, SR-01000759219, UNII-OAY8ORS3CQ, 2-Ethylisonicotinthioamide, EINECS 208-628-9, NSC 255115, BRN 0116474, Thiodine, Ethionamide CRS, Trecator (TN), Prestwick_842, Ethionamide [USAN:USP:INN:BAN:JAN], Ethionamide (Standard), Spectrum_001082, CPD001370750, Nicotinamide Impurity 9, Opera_ID_632, ETHIONAMIDE [MI], Prestwick0_000526, Prestwick1_000526, Prestwick2_000526, Prestwick3_000526, Spectrum2_000994, Spectrum3_000428, Spectrum4_000547, Spectrum5_000979, 2-Ethylisonicotinothiamide, ETHIONAMIDE [INN], ETHIONAMIDE [JAN], E0695, ETHIONAMIDE [HSDB], ETHIONAMIDE [IARC], ETHIONAMIDE [USAN], ETHIONAMIDE [VANDF], CHEMBL1441, ETHIONAMIDE [MART.], SCHEMBL27007, BSPBio_000511, BSPBio_002016, ETHIONAMIDE [USP-RS], ETHIONAMIDE [WHO-DD], ETHIONAMIDE [WHO-IP], KBioGR_001213, KBioSS_001562, MLS001074114, MLS002454402, DivK1c_000145, SPECTRUM1500292, WLN: T6NJ B2 DYZUS, SPBio_001087, SPBio_002432, BPBio1_000563, orb1309547, orb3141368, SCHEMBL5902532, Ethionamide (JP18/USP/INN), SCHEMBL29411271, AEOCXXJPGCBFJA-UHFFFAOYSA-, GTPL12954, HMS500H07, HY-B0276R, KBio1_000145, KBio2_001562, KBio2_004130, KBio2_006698, KBio3_001236, .alpha.-Ethyl-thioisonicotinamide, ETHIONAMIDE [ORANGE BOOK], Isonicotinamide, 2-ethyl, thio-, NINDS_000145, ETHIONAMIDE [EP MONOGRAPH], HMS1569J13, HMS1920M22, HMS2091F03, HMS2096J13, HMS2231F10, HMS2233J11, HMS3259K17, HMS3370I18, HMS3371D12, HMS3655M10, HMS3713J13, HMS5080M05, Pharmakon1600-01500292, ETHIONAMIDE [USP MONOGRAPH], ETHIONAMIDUM [WHO-IP LATIN], HY-B0276, MSK11034, Tox21_110458, Tox21_202409, Tox21_302769, CCG-40212, EBC-11091, NSC757028, SBB055548, AKOS006220662, Ethionamide for system suitability CRS, Tox21_110458_1, DB00609, FS-1770, NC00508, NSC-757028, IDI1_000145, NCGC00016497-01, NCGC00016497-02, NCGC00016497-03, NCGC00016497-04, NCGC00016497-06, NCGC00016497-08, NCGC00016497-09, NCGC00091074-01, NCGC00091074-02, NCGC00091074-03, NCGC00091074-04, NCGC00256600-01, NCGC00259958-01, AC-13715, SMR001370750, SY050668, SBI-0051377.P003, DB-049945, AB00051990, NS00021198, ST50949989, SW196973-3, C07665, D00591, F15438, AB00051990-09, AB00051990_10, AB00051990_11, EN300-7475922, F023863, Q414767, SR-01000759219-2, SR-01000759219-5, BRD-K33710385-001-05-4, BRD-K51207550-001-09-9, BRD-K51207550-001-22-2, BRD-K51207550-001-23-0, Ethionamide, European Pharmacopoeia (EP) Reference Standard, Ethionamide, United States Pharmacopeia (USP) Reference Standard, ethinamide, 2-ethylthioisonicotinamide, 2-ethylpyridine-4-carbothioamide, Ethionamide for system suitability, European Pharmacopoeia (EP) Reference Standard, InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 293.15 | - | 7.149 | [494] |
| 1-Octanol | 298.15 | - | 9.186 | [494] |
| 1-Octanol | 303.15 | - | 11.41 | [494] |
| 1-Octanol | 308.15 | - | 13.97 | [494] |
| 1-Octanol | 313.15 | - | 16.87 | [494] |
| Hexane | 293.15 | - | 0.02341 | [494] |
| Hexane | 298.15 | - | 0.02805 | [494] |
| Hexane | 303.15 | - | 0.03425 | [494] |
| Hexane | 308.15 | - | 0.0399 | [494] |
| Hexane | 313.15 | - | 0.04798 | [494] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 274.5114 |
| PMI2 | 952.8676 |
| PMI3 | 1091.9194 |
| NPR1 | 0.2514 |
| NPR2 | 0.8727 |
| RadiusOfGyration | 2.6411 |
| InertialShapeFactor | 0.0032 |
| Eccentricity | 0.9679 |
| Asphericity | 0.4267 |
| SpherocityIndex | 0.2074 |
| PBF | 0.5924 |