Basic information
- CAS
6054-53-1- Standard SMILES
Cc1cccc(NC(=O)CSc2ncn[nH]2)c1- InChIKey
NLVYFGVJBUOGTE-UHFFFAOYSA-N- Molecular formula
- C11H12N4OS
- Average molar mass
- 248.31 g/mol
- Monoisotopic mass
- 248.07318219
Names & identifiers
- Preferred name
- N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
- IUPAC
- N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Names & synonyms
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamideCBMicro_004296DTXSID30975954SMSF0012585AKOS000533689AKOS001643789CB06197BIM-0004244.P001EU-0074575ST50736979AG-690/12765874SR-01000459689
Show more names
SR-01000459689-1N-(3-methylphenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamideN-(3-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamideN-(3-METHYLPHENYL)-2-(2H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDEN-(3-Methylphenyl)-2-[(1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acidN-(3-Methylphenyl)[(1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acid
Database identifiers
- CAS
6054-53-1- PubChem CID
- 712248
- DTXSID
DTXSID30975954
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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