4-Hydroxy-3-sulfanylbenzaldehyde
Basic information
- CAS
166590-53-0- Standard SMILES
O=Cc1ccc(O)c(S)c1- InChIKey
LOQMENZSCDPVJW-UHFFFAOYSA-N- Molecular formula
- C7H6O2S
- Average molar mass
- 154.19 g/mol
- Monoisotopic mass
- 154.0088506
Names & identifiers
- Preferred name
- 4-Hydroxy-3-sulfanylbenzaldehyde
- IUPAC
- 4-hydroxy-3-sulfanylbenzaldehyde
- English name
- Benzaldehyde, 4-hydroxy-3-mercapto- (9CI)
- Molecular formula
- C7H6O2S
- Molecular weight
- 154.19
Names & synonyms
4-hydroxy-3-sulfanylbenzaldehyde166590-53-04-Hydroxy-3-mercaptobenzaldehydeBenzaldehyde, 4-hydroxy-3-mercapto- (9CI)BENZALDEHYDE, 4-HYDROXY-3-MERCAPTO-SCHEMBL10648731DTXSID90602835DB-273575
Database identifiers
- CAS
166590-53-0- PubChem CID
- 20135591
- DTXSID
DTXSID90602835
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
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Compound notes
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