2,5-Dihydrothiepine-6-carbaldehyde
Basic information
- CAS
201046-33-5- Standard SMILES
O=CC1=CSCC=CC1- InChIKey
MBCDWMPWOMQPCW-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
Names & identifiers
- Preferred name
- 2,5-Dihydrothiepine-6-carbaldehyde
- IUPAC
- 2,5-dihydrothiepine-6-carbaldehyde
- English name
- 3-Thiepincarboxaldehyde, 4,7-dihydro- (9CI)
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
2,5-dihydrothiepine-6-carbaldehyde3-Thiepincarboxaldehyde, 4,7-dihydro-3-Thiepincarboxaldehyde, 4,7-dihydro- (9CI)
Database identifiers
- CAS
201046-33-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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