Basic information
- CAS
14397-24-1- Standard SMILES
NC(=S)NNC(=O)c1ccncc1- InChIKey
VXVGIABASNIWKS-UHFFFAOYSA-N- Molecular formula
- C7H8N4OS
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.04188206
Names & identifiers
- Preferred name
- Isonicotyl thiosemicarbazone
- IUPAC
- (pyridine-4-carbonylamino)thiourea
- English name
- 1-Isonicotinoyl(thiosemicarbazide)
- Molecular formula
- C7H8N4OS
- Molecular weight
- 196.23
Names & synonyms
14397-24-1Isonicotyl thiosemicarbazone1-Isonicotinoyl(thiosemicarbazide)(pyridine-4-carbonylamino)thioureaBB49X70V53NSC14593NSC 14593Semicarbazide, 1-isonicotinoyl-3-thio-UNII-BB49X70V53CHEMBL3633776NSC-145932-isonicotinoylhydrazine-1-carbothioamide
Show more names
4-Pyridinecarboxylic acid, 2-(aminothioxomethyl)hydrazide
Isonicotinic acid, thiosemicarbazide; NSC 14593SCHEMBL2998472DTXSID90162585VXVGIABASNIWKS-UHFFFAOYSA-N1-isonicotinoyl-3-thiosemicarbazideBDBM50133802AKOS0002957482-Isonicotinoylhydrazinecarbothioamide #
Database identifiers
- CAS
14397-24-1- PubChem CID
- 3000601
- DTXSID
DTXSID90162585- ChEMBL
CHEMBL3633776- UNII
- BB49X70V53
- Nikkaji
- J1.394.122J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- FDA UNII
- 49 X70V53 · BB49X70V53
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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