Basic information
- CAS
133513-18-5- Standard SMILES
Clc1ccc2c(sc3c(Cl)c(Cl)ccc32)c1Cl- InChIKey
LPMBNIAZMVFJKV-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4S
- Average molar mass
- 322 g/mol
- Monoisotopic mass
- 319.878782
Names & identifiers
- Preferred name
- 3,4,6,7-Tetrachlorodibenzothiophene
- IUPAC
- 3,4,6,7-tetrachlorodibenzothiophene
Names & synonyms
3,4,6,7-tetrachlorodibenzo[b,d]thiophene133513-18-5Dibenzothiophene, 3,4,6,7-tetrachloro-3,4,6,7-tetrachlorodibenzothiopheneDTXSID80158154
Database identifiers
- CAS
133513-18-5- PubChem CID
- 86405
- DTXSID
DTXSID80158154- Nikkaji
- J607.048E
Properties
Computed structural properties
- XLogP
- 6.8
- 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
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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