Basic information
- CAS
769867-72-3- Standard SMILES
Cc1cc(C)c(O)c(CS(=O)O)c1- InChIKey
KCQAXQGDZGUKOP-UHFFFAOYSA-N- Molecular formula
- C9H12O3S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.05071541
Names & identifiers
- Preferred name
- (2-Hydroxy-3,5-dimethylphenyl)methanesulfinic acid
- IUPAC
- (2-hydroxy-3,5-dimethylphenyl)methanesulfinic acid
- English name
- Benzenemethanesulfinic acid, 2-hydroxy-3,5-dimethyl- (9CI)
- Molecular formula
- C9H12O3S
- Molecular weight
- 200.25478
Names & synonyms
769867-72-3(2-Hydroxy-3,5-dimethylphenyl)methanesulfinic acidDTXSID10494971DB-274084BENZENEMETHANESULFINIC ACID, 2-HYDROXY-3,5-DIMETHYL-Benzenemethanesulfinic acid, 2-hydroxy-3,5-dimethyl- (9CI)
Database identifiers
- CAS
769867-72-3- PubChem CID
- 12373774
- DTXSID
DTXSID10494971
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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