Basic information
- CAS
15543-64-3- Standard SMILES
CC(C)=CCS(=O)(=O)c1ccc(C)cc1- InChIKey
JSVDFYYBKNPBRK-UHFFFAOYSA-N- Molecular formula
- C12H16O2S
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.08710075
Names & identifiers
- Preferred name
- 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene
- IUPAC
- 1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene
Names & synonyms
15543-64-31-methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzeneBenzene, 1-methyl-4-[(3-methyl-2-butenyl)sulfonyl]-1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene1-METHYL-4-(3-METHYLBUT-2-ENE-1-SULFONYL)BENZENESCHEMBL11260460DTXSID00356771JSVDFYYBKNPBRK-UHFFFAOYSA-N1-(p-toluenesulfonyl)-3-methyl-2-buteneAN-056/250130311-methyl-4-(3-methyl-but-2-enylsulfonyl)-benzene
Database identifiers
- CAS
15543-64-3- PubChem CID
- 832405
- DTXSID
DTXSID00356771- Nikkaji
- J456.166J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Related reactions
1 records
Compound notes
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