1,2,4-Trichloro-5-(methylthio)benzene
Basic information
- CAS
4163-78-4- Standard SMILES
CSc1cc(Cl)c(Cl)cc1Cl- InChIKey
RWDHTEMSFGMSDP-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3S
- Average molar mass
- 227.5 g/mol
- Monoisotopic mass
- 225.917754
Names & identifiers
- Preferred name
- 1,2,4-Trichloro-5-(methylthio)benzene
- IUPAC
- 1,2,4-trichloro-5-methylsulfanylbenzene
- English name
- 2,4,5-Trichlorothioanisole
- Molecular formula
- C7H5Cl3S
- Molecular weight
- 227.54
Names & synonyms
4163-78-4Methyl 2,4,5-Trichlorophenyl Sulfide7A1G9VO987DTXSID501944431,2,4-Trichloro-5-(methylthio)benzeneRefChem:1052081DTXCID60116934224-009-62,4,5-Trichlorothioanisolemethyl(2,4,5-trichlorophenyl)sulfane1,2,4-trichloro-5-methylsulfanylbenzene1,2,4-Trichloro-5-(methylsulfanyl)benzene
Show more names
Thichlorothioanisole2,4,5-Trichlorothioanisole >METHYL 2,4,5-TRICHLOROPHENYL SULFIDE1,2,5-TRICHLORO-4-(METHYLTHIO)BENZENE2,4,5-Trichlorophenyl(methyl) sulfide
MFCD00044426Benzene, 1,2,4-trichloro-5-(methylthio)-C7H5Cl3SUNII-7A1G9VO987EINECS 224-009-6Methyl 2,4,5-trichlorophenyl sulphideSulfide, methyl 2,4,5-trichlorophenyl1,2,4-trichloro-5-methylsulfanyl-benzene
Database identifiers
- CAS
4163-78-4- PubChem CID
- 77819
- DTXSID
DTXSID50194443- UNII
- 7A1G9VO987
- EC Number
- 224-009-6
- Nikkaji
- J151.098C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Density
- 1.4412 · 1.4412 (estimate)
- Flash point
- 113 °C · 113 °C
- form
- powder to crystal
- color
- White to Light yellow
- FDA UNII
- 7 A1G9VO987 · 7A1G9VO987
- HS Code
- 2930.9 · 2930.90.2900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930.90.2900
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Compound notes
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