Basic information
- CAS
96009-62-0- Standard SMILES
CC(C)SC(=O)NCCCCc1ccccc1- InChIKey
FRGOTIBGPPEQCY-UHFFFAOYSA-N- Molecular formula
- C14H21NOS
- Average molar mass
- 251.39 g/mol
- Monoisotopic mass
- 251.13438547
Names & identifiers
- Preferred name
- Carbamothioic acid, (4-phenylbutyl)-, S-(1-methylethyl) ester
- IUPAC
- S-propan-2-yl N-(4-phenylbutyl)carbamothioate
Names & synonyms
Carbamothioic acid, (4-phenylbutyl)-, S-(1-methylethyl) ester96009-62-0DTXSID40242088S-(Propan-2-yl) (4-phenylbutyl)carbamothioate
Database identifiers
- CAS
96009-62-0- PubChem CID
- 178797
- DTXSID
DTXSID40242088
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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