3-(Methanesulfinyl)phenyl methanesulfonate
Basic information
- CAS
106164-13-0- Standard SMILES
CS(=O)c1cccc(OS(C)(=O)=O)c1- InChIKey
JVZLHVYCVLDPCX-UHFFFAOYSA-N- Molecular formula
- C8H10O4S2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.00205114
Names & identifiers
- Preferred name
- 3-(Methanesulfinyl)phenyl methanesulfonate
- IUPAC
- (3-methylsulfinylphenyl) methanesulfonate
Names & synonyms
3-(Methanesulfinyl)phenyl methanesulfonateDTXSID005543363-(methylsulfinyl)phenyl methanesulfonatemethanesulfonic acid (3-methylsulfinyl-phenyl) ester
Database identifiers
- CAS
106164-13-0- PubChem CID
- 14014384
- DTXSID
DTXSID00554336
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 304
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…