2,3,6,7-Tetrachlorodibenzothiophene
Basic information
- CAS
133513-19-6- Standard SMILES
Clc1cc2sc3c(Cl)c(Cl)ccc3c2cc1Cl- InChIKey
GZNSXNSYLOBNJN-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4S
- Average molar mass
- 322 g/mol
- Monoisotopic mass
- 319.878782
Names & identifiers
- Preferred name
- 2,3,6,7-Tetrachlorodibenzothiophene
- IUPAC
- 2,3,6,7-tetrachlorodibenzothiophene
Names & synonyms
2,3,6,7-tetrachlorodibenzo[b,d]thiophene133513-19-6Dibenzothiophene, 2,3,6,7-tetrachloro-2,3,6,7-tetrachlorodibenzothiopheneDTXSID40158155
Database identifiers
- CAS
133513-19-6- PubChem CID
- 86406
- DTXSID
DTXSID40158155- Nikkaji
- J607.051E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
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Related reactions
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Compound notes
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