1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)
Basic information
- CAS
56163-31-6- Standard SMILES
Cc1ccccc1SCC#CCSc1ccccc1C- InChIKey
NIWCNGNFSSHVGS-UHFFFAOYSA-N- Molecular formula
- C18H18S2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.08499292
Names & identifiers
- Preferred name
- 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)
- IUPAC
- 1-methyl-2-[4-(2-methylphenyl)sulfanylbut-2-ynylsulfanyl]benzene
Names & synonyms
56163-31-61,1'-(but-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)NSC150411DTXSID80971542NSC-1504111,1'-[But-2-yne-1,4-diylbis(sulfanediyl)]bis(2-methylbenzene)
Database identifiers
- CAS
56163-31-6- PubChem CID
- 289017
- DTXSID
DTXSID80971542
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…