Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC(C=O)SCc1ccccc1- InChIKey
CSXYOGVTXKSZAM-UHFFFAOYSA-N- Molecular formula
- C15H21NO3S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.12421471
Names & identifiers
- Preferred name
- Tert-butyl [2-(benzylthio)-3-oxopropyl]carbamate
- IUPAC
- tert-butyl N-(2-benzylsulfanyl-3-oxopropyl)carbamate
Names & synonyms
SCHEMBL13203995CSXYOGVTXKSZAM-UHFFFAOYSA-Ntert-butyl[2-(benzylthio)-3-oxopropyl]carbamatetert-butyl [2-(benzylthio)-3-oxopropyl]carbamate
Database identifiers
- PubChem CID
- 59136000
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
10 records
Compound notes
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