Basic information
- CAS
30215-59-9- Standard SMILES
CCSC(=O)N(Cc1ccccc1)C(C)C- InChIKey
NRKYLJDRBMNUIB-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.1187354
Names & identifiers
- Preferred name
- Carbamothioic acid, (1-methylethyl)(phenylmethyl)-, S-ethyl ester
- IUPAC
- S-ethyl N-benzyl-N-propan-2-ylcarbamothioate
Names & synonyms
Carbamothioic acid, (1-methylethyl)(phenylmethyl)-, S-ethyl ester30215-59-9DTXSID40184318S-ethyl benzyl(propan-2-yl)carbamothioate
Database identifiers
- CAS
30215-59-9- PubChem CID
- 181986
- DTXSID
DTXSID40184318
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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