2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
Basic information
- CAS
401584-21-2- Standard SMILES
Nc1nnc(SCC(=O)c2ccc(F)cc2)s1- InChIKey
XMXFDTZPFFUNFM-UHFFFAOYSA-N- Molecular formula
- C10H8FN3OS2
- Average molar mass
- 269.3 g/mol
Names & identifiers
- Preferred name
- 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
- IUPAC
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
- English name
- 2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-(4-fluoro-phenyl)-ethanone
- Molecular formula
- C10H8FN3OS2
- Molecular weight
- 269.32
Names & synonyms
Oprea1_577748Oprea1_654915CCG-51229STK1891882-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanoneAKOS001137192SR-01000640540-1BRD-K77602086-001-01-1Z184526832-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-(4-FLUOROPHENYL)-1-ETHANONEEthanone, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(4-fluorophenyl)-2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-(4-fluoro-phenyl)-ethanone
Database identifiers
- CAS
401584-21-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 178 · 178-179 °C
- Boiling point
- 482.6 · 482.6±51.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 2.03 · 2.03±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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