2-fluoro-N-phenylbenzenecarbothioamide
Basic information
- CAS
2027-54-5- Standard SMILES
Fc1ccccc1C(=S)Nc1ccccc1- InChIKey
YMSDUHSVSSXGDW-UHFFFAOYSA-N- Molecular formula
- C13H10FNS
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.05179866
Names & identifiers
- Preferred name
- 2-fluoro-N-phenylbenzenecarbothioamide
- IUPAC
- 2-fluoro-N-phenylbenzenecarbothioamide
Names & synonyms
2-FLUORO-N-PHENYLBENZOTHIOAMIDE2027-54-52-fluoro-N-phenylbenzenecarbothioamideNSC51894DTXSID30397854NSC-518942-Fluoro-N-phenylbenzene-1-carbothioamide
Database identifiers
- CAS
2027-54-5- PubChem CID
- 3901710
- DTXSID
DTXSID30397854
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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