Basic information
- CAS
14467-74-4- Standard SMILES
CCNC(=O)Sc1ccccc1- InChIKey
SYAZQKDGCCZTGA-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- S-Phenyl ethylcarbamothioate
- IUPAC
- S-phenyl N-ethylcarbamothioate
Names & synonyms
S-Phenyl ethylcarbamothioate14467-74-4Phenyl- N-ethylthiocarbamateS-beta-Phenylthioethyl thiocarbamateBRN 2251520AI3-33082A13-33082Carbamothioic acid, ethyl-, S-phenyl ester4-06-00-01527 (Beilstein Handbook Reference)SCHEMBL11844495DTXSID70162780Carbamic acid, ethylthio-, 5-phenyl ester
Show more names
ethylamino-methanethioic acid S-phenyl ester
Database identifiers
- CAS
14467-74-4- PubChem CID
- 167102
- DTXSID
DTXSID70162780- Nikkaji
- J2.134.833C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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