Basic information
- CAS
51751-71-4- Standard SMILES
Cc1ccc(S(=O)(=O)C(C)C)cc1- InChIKey
DUJYZGXBCPOPDD-UHFFFAOYSA-N- Molecular formula
- C10H14O2S
- Average molar mass
- 198.28 g/mol
- Monoisotopic mass
- 198.07145069
Names & identifiers
- Preferred name
- 1-(Isopropylsulfonyl)-4-methylbenzene
- IUPAC
- 1-methyl-4-propan-2-ylsulfonylbenzene
- English name
- 1-(isopropylsulfonyl)-4-methylbenzene
- Molecular formula
- C10H14O2S
- Molecular weight
- 198.28
Names & synonyms
51751-71-41-methyl-4-(propane-2-sulfonyl)benzene1-(isopropylsulfonyl)-4-methylbenzene1-methyl-4-propan-2-ylsulfonylbenzeneIsopropyl p-tolyl sulfoneisopropyl 4-methylphenyl sulfonep-tolyl isopropylsulfoneisopropyl-p-tolyl sulfonep-tolyl isopropyl sulfoneisopropyl4-methylphenylsulfoneSCHEMBL178444SCHEMBL2642589
Show more names
1-Methyl-4-[(1-methylethyl)sulfonyl]benzeneBenzene, 1-methyl-4-[(1-methylethyl)sulfonyl]-
DTXSID40355708DUJYZGXBCPOPDD-UHFFFAOYSA-NBCA751711-isopropylsulfonyl-4-methyl-benzeneSBB092348AKOS0062298591-methyl-4-(propane-2-sulfonyl)-benzeneDA-05283
Database identifiers
- CAS
51751-71-4- PubChem CID
- 816792
- DTXSID
DTXSID40355708- Nikkaji
- J963.688I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 77 · 77-82 °C
- Boiling point
- 120 · 120-130 °C(Press: 1-2 Torr)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
10 records
Compound notes
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