Basic information
- CAS
100469-46-3- Standard SMILES
CCC(C)CSc1ccc(O)c(O)c1- InChIKey
FDSKJEWQSXGEEZ-UHFFFAOYSA-N- Molecular formula
- C11H16O2S
- Average molar mass
- 212.31 g/mol
- Monoisotopic mass
- 212.08710075
Overview
15-lipoxygenase inhibitor
Names & identifiers
- Preferred name
- Methyl-2-butylmercapto-4-catechol
- IUPAC
- 4-(2-methylbutylsulfanyl)benzene-1,2-diol
- English name
- methyl-2-butylmercapto-4-catechol
- Molecular formula
- C11H16O2S
- Molecular weight
- 212.30854
Names & synonyms
Methyl-2-butylmercapto-4-catechol100469-46-3EP-10045RefChem:158085EP 100454-(2-methylbutylthio)-catechol4-[(2-METHYLBUTYL)SULFANYL]BENZENE-1,2-DIOLSCHEMBL9872565DTXSID10905517FDSKJEWQSXGEEZ-UHFFFAOYSA-N
Database identifiers
- CAS
100469-46-3- PubChem CID
- 127575
- DTXSID
DTXSID10905517- Nikkaji
- J488.767K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
1 records
Compound notes
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