O-Benzyl (2,4-difluorophenyl)carbamothioate
Basic information
- CAS
112434-19-2- Standard SMILES
Fc1ccc(NC(=S)OCc2ccccc2)c(F)c1- InChIKey
IGGXUPNDMJCEPO-UHFFFAOYSA-N- Molecular formula
- C14H11F2NOS
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.05294147
Names & identifiers
- Preferred name
- O-Benzyl (2,4-difluorophenyl)carbamothioate
- IUPAC
- O-benzyl N-(2,4-difluorophenyl)carbamothioate
Names & synonyms
DTXSID101166858O-Benzyl (2,4-difluorophenyl)carbamothioateCarbamothioic acid, (2,4-difluorophenyl)-, O-(phenylmethyl) ester112434-19-2
Database identifiers
- CAS
112434-19-2- PubChem CID
- 85539615
- DTXSID
DTXSID101166858
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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