O-Ethyl (4-fluorophenyl)carbamothioate
Basic information
- CAS
404-47-7- Standard SMILES
CCOC(=S)Nc1ccc(F)cc1- InChIKey
FJKSGQKDJZLOTN-UHFFFAOYSA-N- Molecular formula
- C9H10FNOS
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.04671328
Names & identifiers
- Preferred name
- O-Ethyl (4-fluorophenyl)carbamothioate
- IUPAC
- O-ethyl N-(4-fluorophenyl)carbamothioate
Names & synonyms
404-47-7NSC243572O-Ethyl (4-fluorophenyl)carbamothioateDTXSID30402018NSC-243572
Database identifiers
- CAS
404-47-7- PubChem CID
- 4331601
- DTXSID
DTXSID30402018- Nikkaji
- J482.442C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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