Basic information
- CAS
77919-66-5- Standard SMILES
Cc1ccc(S(=O)CC(C)C)cc1- InChIKey
UUTSHQRWCJKXFT-UHFFFAOYSA-N- Molecular formula
- C11H16OS
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.0921863
Names & identifiers
- Preferred name
- Isobutyl-p-methylphenyl sulfoxide
- IUPAC
- 1-methyl-4-(2-methylpropylsulfinyl)benzene
- English name
- Isobutyl-p-methylphenyl sulfoxide
- Molecular weight
- 0
Names & synonyms
Isobutyl-p-methylphenyl sulfoxide77919-66-5DTXSID809991201-Methyl-4-(2-methylpropane-1-sulfinyl)benzene
Database identifiers
- CAS
77919-66-5- PubChem CID
- 144841
- DTXSID
DTXSID80999120
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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