Basic information
- Standard SMILES
Cc1ccc(C=S)cc1- InChIKey
PIMQQGJMDMAZGT-UHFFFAOYSA-N- Molecular formula
- C8H8S
- Average molar mass
- 136.22 g/mol
Names & identifiers
- Preferred name
- 4-Methylthiobenzaldehyde
- IUPAC
- 4-methylthiobenzaldehyde
Names & synonyms
4-methylthiobenzaldehyde4-methylthio-benzaldehydeSCHEMBL316955SCHEMBL1041574SCHEMBL5309529PIMQQGJMDMAZGT-UHFFFAOYSA-NAKOS025310569
Database identifiers
- PubChem CID
- 18177535
- Nikkaji
- J432.165K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.7
Related reactions
29 records
Compound notes
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