Basic information
- CAS
892148-21-9- Standard SMILES
CCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1N- InChIKey
HAJWOVHXXNBAIU-UHFFFAOYSA-N- Molecular formula
- C13H14F3N5OS
- Average molar mass
- 345.35 g/mol
- Monoisotopic mass
- 345.08711575
Names & identifiers
- Preferred name
- 2-((1-Amino-5-ET-1H-1,2,4-triazol-3-YL)thio)-N-(3-(trifluoromethyl)PH)acetamide
- IUPAC
- 2-[(1-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- English name
- 2-((1-Amino-5-Et-1H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)Ph)acetamide
- Molecular formula
- C13H14F3N5OS
- Molecular weight
- 345.34
Names & synonyms
AKOS0244049262-((1-AMINO-5-ET-1H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-(TRIFLUOROMETHYL)PH)ACETAMIDEAcetamide, 2-[(1-amino-5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
892148-21-9- PubChem CID
- 4530212
- EC Number
- 114-614-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Density
- 1.491 · 1.491±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.44 · 12.440±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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