Dodecylsulfanyl-3-(2,4,6-trichloro-phenyl)-prop-2-en-1-ol
Basic information
- Standard SMILES
CCCCCCCCCCCCSC(O)C=Cc1c(Cl)cc(Cl)cc1Cl- InChIKey
VNITYOBKDSSWGC-UHFFFAOYSA-N- Molecular formula
- C21H31Cl3OS
- Average molar mass
- 437.9 g/mol
Names & identifiers
- Preferred name
- Dodecylsulfanyl-3-(2,4,6-trichloro-phenyl)-prop-2-en-1-ol
- IUPAC
- 1-dodecylsulfanyl-3-(2,4,6-trichlorophenyl)prop-2-en-1-ol
Names & synonyms
SCHEMBL9978738VNITYOBKDSSWGC-UHFFFAOYSA-Ndodecylsulfanyl-3-(2,4,6-trichloro-phenyl)-prop-2-en-1-ol
Database identifiers
- PubChem CID
- 67992103
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 355
Related reactions
2 records
Compound notes
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