3-Methyl-4,5-dihydrothiophene-2-carbaldehyde
Basic information
- CAS
89055-44-7- Standard SMILES
CC1=C(C=O)SCC1- InChIKey
IIDIKVVRJNPPOT-UHFFFAOYSA-N- Molecular formula
- C6H8OS
- Average molar mass
- 128.19 g/mol
- Monoisotopic mass
- 128.02958605
Names & identifiers
- Preferred name
- 3-Methyl-4,5-dihydrothiophene-2-carbaldehyde
- IUPAC
- 4-methyl-2,3-dihydrothiophene-5-carbaldehyde
Names & synonyms
89055-44-73-Methyl-4,5-dihydrothiophene-2-carbaldehydeSCHEMBL10915868DTXSID90537395
Database identifiers
- CAS
89055-44-7- PubChem CID
- 13339554
- DTXSID
DTXSID90537395
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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