Basic information
- CAS
3390-77-0- Standard SMILES
Cc1cc(C(N)=S)ccn1- InChIKey
WPZPVMMGTQFGJI-UHFFFAOYSA-N- Molecular formula
- C7H8N2S
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.04081944
Names & identifiers
- Preferred name
- 2-Methylpyridine-4-carbothioamide
- IUPAC
- 2-methylpyridine-4-carbothioamide
- English name
- 2-Methylisonicotinic Acid ThioaMide
- Molecular formula
- C7H8N2S
- Molecular weight
- 152.22
Names & synonyms
2-methylpyridine-4-carbothioamideRefChem:476238878-532-53390-77-02-Methyl-4-pyridinecarbothioamide2-Methylthioisonicotinamide2-Methylisonicotinic acid thioamide2-Methy-4-Thioisonicotinicamide2-methyl-4-thiocarbamoylpyridineIsonicotinamide, 2-methylthio-4-Pyridinecarbothioamide, 2-methyl-XVH8569CV8
Show more names
Ethionamide Impurity 8
SCHEMBL18375601DTXSID90388208WPZPVMMGTQFGJI-UHFFFAOYSA-N2-Methylpyridine-4-thiocarboxamideDAA390772-Methyl-4-pyridinecarbothioamide #2-Methyl-4-pyrridinethiocarbothiamide2-methylpyridine-4-carboximidothioic acid
Database identifiers
- CAS
3390-77-0- PubChem CID
- 3000562
- DTXSID
DTXSID90388208- UNII
- XVH8569CV8
- EC Number
- 878-532-5
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 187 °C · 187 °C(Solv: methanol (67-56-1))
- Boiling point
- 288.3 · 288.3±42.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses2-Methylthioisonicotinamide is an impurity of Ethionamide (E890420) with tuberculostatic activity.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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