2-Hydroxy-5-(methylthio)benzaldehyde
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Basic information
- CAS
67868-84-2- Standard SMILES
CSc1ccc(O)c(C=O)c1- InChIKey
UEFUHPOUXWUJPA-UHFFFAOYSA-N- Molecular formula
- C8H8O2S
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.02450067
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(methylthio)benzaldehyde
- IUPAC
- 2-hydroxy-5-methylsulfanylbenzaldehyde
- English name
- 2-hydroxy-5-(methylthio)benzaldehyde
- Molecular formula
- C8H8O2S
- Molecular weight
- 168.21
Names & synonyms
2-HYDROXY-5-(METHYLTHIO)BENZALDEHYDE67868-84-22-hydroxy-5-methylsulfanylbenzaldehydeBenzaldehyde, 2-hydroxy-5-(methylthio)-MFCD033090912-HYDROXY-5-(METHYLSULFANYL)BENZALDEHYDE5-(methylthio)salicylaldehydeSCHEMBL2641952DTXSID20498102UEFUHPOUXWUJPA-UHFFFAOYSA-NAKOS022637656MB02696
Show more names
2-hydroxy-5-methylsulfanyl-benzaldehydeDA-03697DS-19703SY276708CS-0015237W18512F517428
Database identifiers
- CAS
67868-84-2- PubChem CID
- 12433397
- DTXSID
DTXSID20498102
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 114 · 114-118 °C(Press: 4 Torr)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8 · 8.00±0.18(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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