Basic information
- Standard SMILES
CC(C)(C(=O)c1ccc(SCCCCS)cc1)N1CCOCC1- InChIKey
USKWMFJVQHAUPA-UHFFFAOYSA-N- Molecular formula
- C18H27NO2S2
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- 1-[4-(4-Mercaptobutylthio)-phenyl]-2-methyl-2-morpholin-4-yl-propan-1-one
- IUPAC
- 2-methyl-2-morpholin-4-yl-1-[4-(4-sulfanylbutylsulfanyl)phenyl]propan-1-one
Names & synonyms
SCHEMBL8167452USKWMFJVQHAUPA-UHFFFAOYSA-N1-[4-(4-Mercaptobutylthio)-phenyl]-2-methyl-2-morpholin-4-yl-propan-1-one
Database identifiers
- PubChem CID
- 19360615
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
Loading…