Basic information
- CAS
17414-14-1- Standard SMILES
CC(C)=C(C)S(=O)c1ccccc1- InChIKey
MWJHJEBZUCGRCH-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- [(1,2-Dimethyl-1-propenyl)sulfinyl]benzene
- IUPAC
- 3-methylbut-2-en-2-ylsulfinylbenzene
Names & synonyms
17414-14-1[(1,2-Dimethyl-1-propenyl)sulfinyl]benzene1,2-dimethyl-prop-1-enylsulfinyl-benzene(3-METHYLBUT-2-ENE-2-SULFINYL)BENZENEBenzene, [(1,2-dimethyl-1-propenyl)sulfinyl]-DTXSID60336655MWJHJEBZUCGRCH-UHFFFAOYSA-N2-methyl-3-phenylsulfinyl-2-butene[(1,2-Dimethyl-1-propenyl)sulfinyl]benzene #
Database identifiers
- CAS
17414-14-1- PubChem CID
- 535232
- DTXSID
DTXSID60336655- Nikkaji
- J2.378.748B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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