Carbamothioic acid, ethyl(2-phenylethyl)-, S-ethyl ester
Basic information
- CAS
92911-15-4- Standard SMILES
CCSC(=O)N(CC)CCc1ccccc1- InChIKey
LEWQHQHAJQDYIZ-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.1187354
Names & identifiers
- Preferred name
- Carbamothioic acid, ethyl(2-phenylethyl)-, S-ethyl ester
- IUPAC
- S-ethyl N-ethyl-N-(2-phenylethyl)carbamothioate
Names & synonyms
Carbamothioic acid, ethyl(2-phenylethyl)-, S-ethyl ester92911-15-4S-Ethyl (ethyl-(2-phenylethyl)amino)methanethioateDTXSID20239198S-Ethyl ethyl(2-phenylethyl)carbamothioate
Database identifiers
- CAS
92911-15-4- PubChem CID
- 185207
- DTXSID
DTXSID20239198
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
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Compound notes
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