2,3,4,5-Tetrachlorothioanisole
Basic information
- CAS
53014-41-8- Standard SMILES
CSc1cc(Cl)c(Cl)c(Cl)c1Cl- InChIKey
HCRXWLHWNLFDNE-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4S
- Average molar mass
- 262 g/mol
- Monoisotopic mass
- 259.878782
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachlorothioanisole
- IUPAC
- 1,2,3,4-tetrachloro-5-methylsulfanylbenzene
- English name
- Benzene, 1,2,3,4-tetrachloro-5-(methylthio)-
- Molecular formula
- C7H4Cl4S
- Molecular weight
- 261.98366
Names & synonyms
2,3,4,5-Tetrachlorothioanisole53014-41-8Benzene, 1,2,3,4-tetrachloro-5-(methylthio)-68671-89-6Tetrachloro(methylthio)benzeneBenzene, tetrachloro(methylthio)-tetrachlorothioanisoleSCHEMBL28887413DTXSID30967511HCRXWLHWNLFDNE-UHFFFAOYSA-N1,2,3,4-Tetrachloro-5-(methylsulfanyl)benzene1,2,3,4-Tetrachloro-5-(methylsulfanyl)benzene #
Show more names
1,2,3,4-Tetrachloro-5-(methylthio)benzene
Database identifiers
- CAS
53014-41-8、68671-89-6- PubChem CID
- 155113
- DTXSID
DTXSID30967511
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
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Compound notes
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