Basic information
- CAS
50337-53-6- Standard SMILES
Cc1ccc(S(=O)C(C)C)cc1- InChIKey
WNXVEFMOQSAQJV-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653624
Names & identifiers
- Preferred name
- Isopropyl p-tolyl sulfoxide
- IUPAC
- 1-methyl-4-propan-2-ylsulfinylbenzene
Names & synonyms
50337-53-6Isopropyl p-tolyl sulfoxideisopropyl-p-tolylsulfoxide1-METHYL-4-(PROPANE-2-SULFINYL)BENZENEBenzene, 1-methyl-4-[(1-methylethyl)sulfinyl]-SCHEMBL12697242SCHEMBL19581795DTXSID60340378WNXVEFMOQSAQJV-UHFFFAOYSA-N1-(Isopropylsulfinyl)-4-methylbenzene1-(Isopropylsulfinyl)-4-methylbenzene #1-Methyl-4-(propane-2-sulfinyl)-benzene
Database identifiers
- CAS
50337-53-6- PubChem CID
- 564313
- DTXSID
DTXSID60340378- Nikkaji
- J511.793C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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