Basic information
- Standard SMILES
N#Cc1ccc(C(=O)CC2c3ccccc3Sc3ccccc32)cc1- InChIKey
CKMPSPPPGHGSFW-UHFFFAOYSA-N- Molecular formula
- C22H15NOS
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile
- IUPAC
- 4-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile
Names & synonyms
SCHEMBL7439230CKMPSPPPGHGSFW-UHFFFAOYSA-N4-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile
Database identifiers
- PubChem CID
- 70092535
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Related reactions
3 records
Compound notes
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