Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
Basic information
- CAS
113881-70-2- Standard SMILES
C=CCC(C(=C)Sc1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
IDMLUASYGLYQSC-UHFFFAOYSA-N- Molecular formula
- C18H18O2S2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.07482216
Names & identifiers
- Preferred name
- Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-
- IUPAC
- 3-(benzenesulfonyl)hexa-1,5-dien-2-ylsulfanylbenzene
Names & synonyms
113881-70-2Benzene, [[1-methylene-2-(phenylsulfonyl)-4-pentenyl]thio]-NSC612213DTXSID40326731{[3-(BENZENESULFONYL)HEXA-1,5-DIEN-2-YL]SULFANYL}BENZENENSC-612213
Database identifiers
- CAS
113881-70-2- PubChem CID
- 356450
- DTXSID
DTXSID40326731- Nikkaji
- J275.635H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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