S-(4-chlorophenyl) N-phenylcarbamothioate
Basic information
- CAS
64651-83-8- Standard SMILES
O=C(Nc1ccccc1)Sc1ccc(Cl)cc1- InChIKey
HFAKYDJGZZXQSU-UHFFFAOYSA-N- Molecular formula
- C13H10ClNOS
- Average molar mass
- 263.74 g/mol
- Monoisotopic mass
- 263.0171628
Names & identifiers
- Preferred name
- S-(4-chlorophenyl) N-phenylcarbamothioate
- IUPAC
- S-(4-chlorophenyl) N-phenylcarbamothioate
Names & synonyms
64651-83-8NSC-30763Carbamothioic acid, phenyl-, S-(4-chlorophenyl) esterNSC30763S-(4-chlorophenyl) N-phenylcarbamothioateYC98NS62ZDDTXSID00983268NSC 30763Carbanilic acid, p-chlorophenyl esterS-(4-Chlorophenyl) hydrogen phenylcarbonimidothioateCarbamothioic acid, N-phenyl-, S-(4-chlorophenyl) ester
Database identifiers
- CAS
64651-83-8- PubChem CID
- 188034
- DTXSID
DTXSID00983268- UNII
- YC98NS62ZD
- Nikkaji
- J482.531D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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