Basic information
- CAS
6058-02-2- Standard SMILES
O=C(CSc1ncn[nH]1)Nc1ccc(F)cc1- InChIKey
JTTLGEHWVIVIEF-UHFFFAOYSA-N- Molecular formula
- C10H9FN4OS
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.04811026
Names & identifiers
- Preferred name
- N-(4-Fluoro-phenyl)-2-(1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
- IUPAC
- N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Names & synonyms
6058-02-2N-(4-Fluoro-phenyl)-2-(1H-[1,2,4]triazol-3-ylsulfanyl)-acetamideSTK499600CBMicro_043303DTXSID50353497HMS1694D05N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamideAKOS000574503AKOS001617256CCG-106702BIM-0043369.P001ST45017554
Show more names
2-(4H-1,2,4-triazol-3-ylthio)-N-(4-fluorophenyl)acetamideN-(4-fluorophenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamideN-(4-fluorophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamideN-(4-Fluorophenyl)-2-[(1H-1,2,4-triazol-5-yl)sulfanyl]acetamideN-(4-fluorophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Database identifiers
- CAS
6058-02-2- PubChem CID
- 743532
- DTXSID
DTXSID50353497
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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