4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide
Basic information
- CAS
733044-83-2- Standard SMILES
NC(=S)c1ccc(CSc2ncn[nH]2)cc1- InChIKey
HJJZFFBWRLJBSV-UHFFFAOYSA-N- Molecular formula
- C10H10N4S2
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.03468868
Names & identifiers
- Preferred name
- 4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamide
- IUPAC
- 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarbothioamide
Names & synonyms
4-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-thiobenzamideDTXSID601192066733044-83-24-(4H-1,2,4-triazol-3-ylsulfanylmethyl)benzenecarbothioamide4-[(1H-1,2,4-Triazol-5-ylthio)methyl]benzenecarbothioamide4-{[(4H-1,2,4-Triazol-3-yl)sulfanyl]methyl}benzene-1-carbothioamide
Database identifiers
- CAS
733044-83-2- PubChem CID
- 5273665
- DTXSID
DTXSID601192066
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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