Basic information
- Standard SMILES
COC(OC)C(C)(CN)SCc1ccccc1- InChIKey
MNRHPRVSBKZXFE-UHFFFAOYSA-N- Molecular formula
- C13H21NO2S
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.12930009
Names & identifiers
- Preferred name
- 2-(Benzylthio)-3,3-dimethoxy-2-methylpropan-1-amine
- IUPAC
- 2-benzylsulfanyl-3,3-dimethoxy-2-methylpropan-1-amine
Names & synonyms
SCHEMBL2655235MNRHPRVSBKZXFE-UHFFFAOYSA-N2-(benzylthio)-3,3-dimethoxy-2-methylpropan-1-amine
Database identifiers
- PubChem CID
- 57475982
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Related reactions
5 records
Compound notes
Loading…