Basic information
- CAS
188969-07-5- Standard SMILES
C=CSCCSCc1ccc(Sc2ccc(CSCCSC=C)cc2)cc1- InChIKey
FDYCZVWKGOLNRD-UHFFFAOYSA-N- Molecular formula
- C22H26S5
- Average molar mass
- 450.8 g/mol
- Monoisotopic mass
- 450.0638067
Names & identifiers
- Preferred name
- Agn-PC-0nfkdq
- IUPAC
- 1-(2-ethenylsulfanylethylsulfanylmethyl)-4-[4-(2-ethenylsulfanylethylsulfanylmethyl)phenyl]sulfanylbenzene
Names & synonyms
AGN-PC-0NFKDQ188969-07-5DTXSID804544861,1'-Sulfanediylbis[4-({[2-(ethenylsulfanyl)ethyl]sulfanyl}methyl)benzene]
Database identifiers
- CAS
188969-07-5- PubChem CID
- 11080877
- DTXSID
DTXSID80454486
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…