trans-(1R,2S)-1-ethenyl-2-methanethioylcyclopropane-1-carbaldehyde
Basic information
- CAS
201046-22-2- Standard SMILES
C=C[C@]1(C=O)C[C@@H]1C=S- InChIKey
XAXJUDQYCYAQPC-RNFRBKRXSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
Names & identifiers
- Preferred name
- trans-(1R,2S)-1-ethenyl-2-methanethioylcyclopropane-1-carbaldehyde
- IUPAC
- trans-(1R,2S)-1-ethenyl-2-methanethioylcyclopropane-1-carbaldehyde
- English name
- Cyclopropanecarboxaldehyde, 1-ethenyl-2-(thioxomethyl)-, (1R,2S)-rel- (9CI)
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
Cyclopropanecarboxaldehyde, 1-ethenyl-2-(thioxomethyl)-, (1R,2S)-rel- (9CI)
Database identifiers
- CAS
201046-22-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 203.675 · 203.675±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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