Completing data — usually done within a minute
Basic information
- CAS
32564-31-1- Standard SMILES
C=C(C)C1CC(=O)C(C)C(SC)C1- InChIKey
BVACDZLXQCWKAF-UHFFFAOYSA-N- Molecular formula
- C11H18OS
- Average molar mass
- 198.33 g/mol
- Monoisotopic mass
- 198.10783637
Names & identifiers
- Preferred name
- 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one
- IUPAC
- 2-methyl-3-methylsulfanyl-5-prop-1-en-2-ylcyclohexan-1-one
Names & synonyms
32564-31-1EINECS 251-098-92-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-oneSCHEMBL11852634DTXSID009542966-methylthio-p-menth-8-en-2-one2-METHYL-3-(METHYLSULFANYL)-5-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONENS00059293
Database identifiers
- CAS
32564-31-1- PubChem CID
- 122899
- DTXSID
DTXSID00954296- EC Number
- 251-098-9
- Nikkaji
- J319.396I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
3 records
Compound notes
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