Basic information
- CAS
34197-16-5- Standard SMILES
COc1ccc(C(c2ccc(SC)cc2)C(Cl)(Cl)Cl)cc1- InChIKey
YHDIGZDVODUGOD-UHFFFAOYSA-N- Molecular formula
- C16H15Cl3OS
- Average molar mass
- 361.7 g/mol
- Monoisotopic mass
- 359.990919
Names & identifiers
- Preferred name
- Benzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)-
- IUPAC
- 1-methoxy-4-[2,2,2-trichloro-1-(4-methylsulfanylphenyl)ethyl]benzene
Names & synonyms
Methoxy-methiochlorBRN 228900434197-16-5AI3-290162-(p-Methoxyphenyl)-2-(p-(methylthio)phenyl)-1,1,1-trichloroethaneBenzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)-Ethane, 2-(p-methoxyphenyl)-2-(p-(methylthio)phenyl)-1,1,1-trichloro-RefChem:323792Benzene, 1-methoxy-4-(2,2,2-trichloro-1-(4-(methylthio)phenyl)ethyl)-(9CI)SCHEMBL11785176DTXSID909557371-Methoxy-4-{2,2,2-trichloro-1-[4-(methylsulfanyl)phenyl]ethyl}benzene
Database identifiers
- CAS
34197-16-5- PubChem CID
- 36714
- DTXSID
DTXSID90955737- Nikkaji
- J1.617.303G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
LogP2.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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