Basic information
- CAS
6462-31-3- Standard SMILES
Cc1cc(C)c(S(C)(=O)=O)c(C)c1- InChIKey
VTSJEUVPFFSEBN-UHFFFAOYSA-N- Molecular formula
- C10H14O2S
- Average molar mass
- 198.28 g/mol
- Monoisotopic mass
- 198.07145086
Names & identifiers
- Preferred name
- Benzene, 1,3,5-trimethyl-2-(methylsulfonyl)-
- IUPAC
- 1,3,5-trimethyl-2-methylsulfonylbenzene
- English name
- Benzene, 1,3,5-trimethyl-2-(methylsulfonyl)-
- Molecular formula
- C10H14O2S
- Molecular weight
- 198.28196
Names & synonyms
6462-31-3Benzene, 1,3,5-trimethyl-2-(methylsulfonyl)-DTXSID30341953RefChem:117292DTXCID20293033VTSJEUVPFFSEBN-UHFFFAOYSA-N2-methanesulfonyl-1,3,5-trimethylbenzene1,3,5-trimethyl-2-methylsulfonylbenzenemesitylmethylsulphoneSCHEMBL8271353GAA462312-(Methanesulfonyl)-1,3,5-trimethylbenzene
Show more names
1,3,5-Trimethyl-2-(methylsulfonyl)benzene #EN300-153425G59257
Database identifiers
- CAS
6462-31-3- PubChem CID
- 577272
- DTXSID
DTXSID30341953- EC Number
- 191-294-0
- Nikkaji
- J1.434.913H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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