Basic information
- CAS
5395-20-0- Standard SMILES
Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1- InChIKey
OHCLHQCVALHTDN-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- 1-(Benzylsulfonyl)-4-methylbenzene
- IUPAC
- 1-benzylsulfonyl-4-methylbenzene
- English name
- Benzylp-tolylsulfone
- Molecular formula
- C14H14O2S
- Molecular weight
- 246.32
Names & synonyms
1-(Benzylsulfonyl)-4-methylbenzene5395-20-0BENZYL P-TOLYL SULFONE1-METHYL-4-PHENYLMETHANESULFONYLBENZENE1-Methyl-4-(phenylmethanesulfonyl)benzene1-benzylsulfonyl-4-methylbenzeneBenzyl 4-methylphenyl sulfoneNSC227Benzyl-p-tolyl-sulfon4-Methylphenyl benzyl sulfoneSCHEMBL257997SCHEMBL4738236
Show more names
Benzylp-tolylsulfone1-Methyl-4-[(phenylmethyl)sulfonyl]benzeneBenzene, 1-methyl-4-[(phenylmethyl)sulfonyl]-
SCHEMBL28336689DTXSID50276975NSC-227OHCLHQCVALHTDN-UHFFFAOYSA-N4-methyl-1-[benzylsulfonyl]benzene1-(Benzylsulfonyl)-4-methylbenzene #AKOS003652601HS-6098
Database identifiers
- CAS
5395-20-0- PubChem CID
- 219220
- DTXSID
DTXSID50276975- Nikkaji
- J676.628E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 144.5 °C · 144.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 429.3 · 429.3±38.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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