Basic information
- CAS
181060-03-7- Standard SMILES
CSC1(C=O)CCCCC1- InChIKey
WWQJSZPBYVUFRR-UHFFFAOYSA-N- Molecular formula
- C8H14OS
- Average molar mass
- 158.26 g/mol
Names & identifiers
- Preferred name
- Cyclohexanecarboxaldehyde, 1-(methylthio)-
- IUPAC
- 1-methylsulfanylcyclohexane-1-carbaldehyde
- English name
- Cyclohexanecarboxaldehyde, 1-(methylthio)- (9CI)
- Molecular formula
- C8H14OS
- Molecular weight
- 158.26116
Names & synonyms
181060-03-7DB-275346CYCLOHEXANECARBOXALDEHYDE, 1-(METHYLTHIO)-Cyclohexanecarboxaldehyde, 1-(methylthio)- (9CI)
Database identifiers
- CAS
181060-03-7- Nikkaji
- J1.471.303D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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