1,1'-Sulfanediylbis[2-bromo-4,5-bis(methylsulfanyl)benzene]
Basic information
- CAS
138709-32-7- Standard SMILES
CSc1cc(Br)c(Sc2cc(SC)c(SC)cc2Br)cc1SC- InChIKey
MYHKAIJSVPIFHN-UHFFFAOYSA-N- Molecular formula
- C16H16Br2S5
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 525.82223
Names & identifiers
- Preferred name
- 1,1'-Sulfanediylbis[2-bromo-4,5-bis(methylsulfanyl)benzene]
- IUPAC
- 1-bromo-2-[2-bromo-4,5-bis(methylsulfanyl)phenyl]sulfanyl-4,5-bis(methylsulfanyl)benzene
Names & synonyms
138709-32-7DTXSID305661691,1'-Sulfanediylbis[2-bromo-4,5-bis(methylsulfanyl)benzene]
Database identifiers
- CAS
138709-32-7- PubChem CID
- 14964489
- DTXSID
DTXSID30566169
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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