Basic information
- Standard SMILES
C#Cc1ccc(S(=O)(=O)c2ccccc2)cc1- InChIKey
JBDVQKQNUISWLQ-UHFFFAOYSA-N- Molecular formula
- C14H10O2S
- Average molar mass
- 242.29 g/mol
Names & identifiers
- Preferred name
- 4-Phenylsulfonylphenylethyne
- IUPAC
- 1-(benzenesulfonyl)-4-ethynylbenzene
Names & synonyms
4-phenylsulfonylphenylethyneSCHEMBL3162120JBDVQKQNUISWLQ-UHFFFAOYSA-N1-ethynyl-4-(phenylsulfonyl)benzene
Database identifiers
- PubChem CID
- 19939320
- Nikkaji
- J652.816C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
Related reactions
9 records
Compound notes
Loading…