Basic information
- CAS
34197-17-6- Standard SMILES
CCOc1ccc(C(c2ccc(SC)cc2)C(Cl)(Cl)Cl)cc1- InChIKey
MWSZWDFHIDWNEX-UHFFFAOYSA-N- Molecular formula
- C17H17Cl3OS
- Average molar mass
- 375.7 g/mol
- Monoisotopic mass
- 374.006569
Names & identifiers
- Preferred name
- Benzene, 1-(methylthio)-4-(2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl)-
- IUPAC
- 1-ethoxy-4-[2,2,2-trichloro-1-(4-methylsulfanylphenyl)ethyl]benzene
Names & synonyms
BRN 233558334197-17-61-(Methylthio)-4-(2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl)benzeneBenzene, 1-(methylthio)-4-(2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl)-RefChem:3236311-ethoxy-4-{2,2,2-trichloro-1-[4-(methylsulfanyl)phenyl]ethyl}benzeneDTXSID50955738
Database identifiers
- CAS
34197-17-6- PubChem CID
- 214770
- DTXSID
DTXSID50955738
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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