Basic information
- CAS
6317-14-2- Standard SMILES
C=CCSC(SCC=C)c1ccc(Cl)cc1- InChIKey
UJPBBGZAGMEANC-UHFFFAOYSA-N- Molecular formula
- C13H15ClS2
- Average molar mass
- 270.8 g/mol
- Monoisotopic mass
- 270.0303705
Names & identifiers
- Preferred name
- 1-[Bis(prop-2-en-1-ylsulfanyl)methyl]-4-chlorobenzene
- IUPAC
- 1-[bis(prop-2-enylsulfanyl)methyl]-4-chlorobenzene
Names & synonyms
6317-14-21-[bis(prop-2-en-1-ylsulfanyl)methyl]-4-chlorobenzeneNSC40458DTXSID60285093NSC-404581-{Bis[(prop-2-en-1-yl)sulfanyl]methyl}-4-chlorobenzene
Database identifiers
- CAS
6317-14-2- PubChem CID
- 237167
- DTXSID
DTXSID60285093
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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