4-(Hydroxymethyl)-2,5-bis(methylthio)thiophene-3-carbaldehyde
Basic information
- CAS
24963-64-2- Standard SMILES
CSc1sc(SC)c(CO)c1C=O- InChIKey
QNJZISJLWABAIC-UHFFFAOYSA-N- Molecular formula
- C8H10O2S3
- Average molar mass
- 234.4 g/mol
- Monoisotopic mass
- 233.98429308
Names & identifiers
- Preferred name
- 4-(Hydroxymethyl)-2,5-bis(methylthio)thiophene-3-carbaldehyde
- IUPAC
- 4-(hydroxymethyl)-2,5-bis(methylsulfanyl)thiophene-3-carbaldehyde
- English name
- 4-(Hydroxymethyl)-2,5-bis(methylthio)thiophene-3-carbaldehyde
- Molecular formula
- C8H10O2S3
- Molecular weight
- 234.36
Names & synonyms
4-(hydroxymethyl)-2,5-bis(methylthio)thiophene-3-carbaldehyde24963-64-24-(hydroxymethyl)-2,5-bis(methylsulfanyl)thiophene-3-carbaldehydeProbes1_000401Probes2_000469Cambridge id 5103885CBDivE_014424C8H10O2S3DTXSID70354683MFCD00456872AKOS030494795BP-11193
Show more names
3-Thiophenecarboxaldehyde, 4-(hydroxymethyl)-2,5-bis(methylthio)-
CS-0336222AB00073657-01SR-01000195193SR-01000195193-1
Database identifiers
- CAS
24963-64-2- PubChem CID
- 778798
- DTXSID
DTXSID70354683
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 382.2 · 382.2±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.38 · 13.38±0.10(Predicted)
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Related reactions
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Compound notes
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