Basic information
- CAS
55834-35-0- Standard SMILES
C=CCC(C)(Sc1ccccc1)C(=O)CC- InChIKey
VIHZXMGRKAVLFX-UHFFFAOYSA-N- Molecular formula
- C14H18OS
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.10783637
Names & identifiers
- Preferred name
- 4-Methyl-4-phenylsulfanylhept-6-en-3-one
- IUPAC
- 4-methyl-4-phenylsulfanylhept-6-en-3-one
Names & synonyms
NSC31196355834-35-0DTXSID50317155NSC-311963DS-0152674-methyl-4-phenylsulfanyl-hept-6-en-3-one4-Methyl-4-(phenylsulfanyl)hept-6-en-3-one
Database identifiers
- CAS
55834-35-0- PubChem CID
- 329409
- DTXSID
DTXSID50317155
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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