Basic information
- CAS
93589-72-1- Standard SMILES
CCCC(c1ccccc1)N(C)C(=O)SCC- InChIKey
CBCMAGDQPMVOGU-UHFFFAOYSA-N- Molecular formula
- C14H21NOS
- Average molar mass
- 251.39 g/mol
- Monoisotopic mass
- 251.13438547
Names & identifiers
- Preferred name
- S-Ethyl methyl(1-phenylbutyl)carbamothioate
- IUPAC
- S-ethyl N-methyl-N-(1-phenylbutyl)carbamothioate
Names & synonyms
93589-72-1S-ETHYL METHYL(1-PHENYLBUTYL)CARBAMOTHIOATEDTXSID20918315Carbamothioic acid, methyl(1-phenylbutyl)-, S-ethyl ester
Database identifiers
- CAS
93589-72-1- PubChem CID
- 185271
- DTXSID
DTXSID20918315
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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