N-methyl-1,2,4-triazole-1-carbothioamide
Basic information
- CAS
35101-78-1- Standard SMILES
CNC(=S)n1cncn1- InChIKey
RTVQJQQIGDVNOX-UHFFFAOYSA-N- Molecular formula
- C4H6N4S
- Average molar mass
- 142.19 g/mol
- Monoisotopic mass
- 142.03131738
Names & identifiers
- Preferred name
- N-methyl-1,2,4-triazole-1-carbothioamide
- IUPAC
- N-methyl-1,2,4-triazole-1-carbothioamide
Names & synonyms
35101-78-1N-methyl-1,2,4-triazole-1-carbothioamideNSC1427981H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE,N-METHYL-DTXSID50398080AKOS006354063NSC-142798DS-002858N-Methyl-1H-1,2,4-triazole-1-carbothioamide
Database identifiers
- CAS
35101-78-1- PubChem CID
- 3935875
- DTXSID
DTXSID50398080
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
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Compound notes
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