Basic information
- CAS
959295-46-6- Standard SMILES
CCCCCCCCCCCCSc1c(Cl)c(C)nc(C)c1Cl- InChIKey
QGBWWLVFYIIBJI-UHFFFAOYSA-N- Molecular formula
- C19H31Cl2NS
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 375.1554266
Names & identifiers
- Preferred name
- 2,6-Lutidine 3,5-dichloro-4-dodecylthio-
- IUPAC
- 3,5-dichloro-4-dodecylsulfanyl-2,6-dimethylpyridine
Names & synonyms
2,6-Lutidine 3,5-dichloro-4-dodecylthio-QGBWWLVFYIIBJI-UHFFFAOYSA-NDTXSID501367268Pyridine, 3,5-dichloro-4-(dodecylthio)-2,6-dimethyl-3,5-Dichloro-4-(dodecylsulfanyl)-2,6-dimethylpyridine #959295-46-6
Database identifiers
- CAS
959295-46-6- PubChem CID
- 536613
- DTXSID
DTXSID501367268
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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