Basic information
- CAS
4170-69-8- Standard SMILES
CC(C)S(=O)c1ccccc1- InChIKey
MNPISBRDBQCTAF-UHFFFAOYSA-N- Molecular formula
- C9H12OS
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.06088618
Names & identifiers
- Preferred name
- Propan-2-ylsulfinylbenzene
- IUPAC
- propan-2-ylsulfinylbenzene
- English name
- propan-2-ylsulfinylbenzene
- Molecular formula
- C9H12OS
- Molecular weight
- 168.26
Names & synonyms
propan-2-ylsulfinylbenzene4170-69-8isopropyl phenyl sulfoxide(PROPANE-2-SULFINYL)BENZENE(isopropylsulfinyl)benzene1-(Isopropylsulfinyl)benzeneNSC316452(Propane-2-sulfinyl)-benzeneSCHEMBL777881ISOPROPYLPHENYL SULFOXIDESCHEMBL6200461SCHEMBL7315187
Show more names
Benzene, [(1-methylethyl)sulfinyl]-
SCHEMBL10881210DTXSID40317482AKOS006274061NSC-316452DB-201204
Database identifiers
- CAS
4170-69-8- PubChem CID
- 330158
- DTXSID
DTXSID40317482- Nikkaji
- J283.985G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Zhejiang Synose Tech Co., Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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