Basic information
- CAS
27320-24-7- Standard SMILES
Cc1cc(O)c(O)cc1S- InChIKey
NSHDEDGWZUKSDC-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- Pyrocatechol, 4-mercapto-5-methyl-
- IUPAC
- 4-methyl-5-sulfanylbenzene-1,2-diol
- English name
- 4-methyl-5-sulfanyl-benzene-1,2-diol
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
4-methyl-5-sulfanylbenzene-1,2-diolPyrocatechol, 4-mercapto-5-methyl-27320-24-74-Mercapto-5-methylpyrocatecholDTXSID601817684-methyl-5-sulfanyl-benzene-1,2-diol1,2-Benzenediol, 4-mercapto-5-methyl-
Database identifiers
- CAS
27320-24-7- PubChem CID
- 147159
- DTXSID
DTXSID60181768- Nikkaji
- J570.236D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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