Basic information
- CAS
5078-60-4- Standard SMILES
Clc1c(Cl)c(Cl)c(CSCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl- InChIKey
IWCBEJABKOROHR-UHFFFAOYSA-N- Molecular formula
- C14H4Cl10S
- Average molar mass
- 558.8 g/mol
- Monoisotopic mass
- 553.691898
Names & identifiers
- Preferred name
- 1,1'-(Sulfanediyldimethanediyl)bis(pentachlorobenzene)
- IUPAC
- 1,2,3,4,5-pentachloro-6-[(2,3,4,5,6-pentachlorophenyl)methylsulfanylmethyl]benzene
Names & synonyms
5078-60-41,1'-(sulfanediyldimethanediyl)bis(pentachlorobenzene)NSC85639SCHEMBL30342499DTXSID20292804NSC-856391,1'-[Sulfanediylbis(methylene)]bis(2,3,4,5,6-pentachlorobenzene)
Database identifiers
- CAS
5078-60-4- PubChem CID
- 257537
- DTXSID
DTXSID20292804
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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