S-phenyl N-benzylcarbamothioate
Basic information
- CAS
72024-41-0- Standard SMILES
O=C(NCc1ccccc1)Sc1ccccc1- InChIKey
XOMBNXRPHRHRSA-UHFFFAOYSA-N- Molecular formula
- C14H13NOS
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.07178521
Names & identifiers
- Preferred name
- S-phenyl N-benzylcarbamothioate
- IUPAC
- S-phenyl N-benzylcarbamothioate
Names & synonyms
S-phenyl N-benzylcarbamothioate72024-41-0DTXSID30308662RefChem:379584DTXCID50259788S-phenyl benzylcarbamothioateNSC206452SCHEMBL16542561NSC-206452
Database identifiers
- CAS
72024-41-0- PubChem CID
- 307941
- DTXSID
DTXSID30308662- Nikkaji
- J3.527.212G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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