(4-Chlorophenyl)methyl dodecyl 3-pyridinylcarbonimidodithioate
Basic information
- CAS
40199-26-6- Standard SMILES
CCCCCCCCCCCCSC(=Nc1cccnc1)SCc1ccc(Cl)cc1- InChIKey
KNVLRWVBMPFZSQ-UHFFFAOYSA-N- Molecular formula
- C25H35ClN2S2
- Average molar mass
- 463.1 g/mol
- Monoisotopic mass
- 462.1930192
Names & identifiers
- Preferred name
- (4-Chlorophenyl)methyl dodecyl 3-pyridinylcarbonimidodithioate
- IUPAC
- 1-[(4-chlorophenyl)methylsulfanyl]-1-dodecylsulfanyl-N-pyridin-3-ylmethanimine
- English name
- (4-Chlorophenyl)methyl dodecyl-3-pyridinylcarbonimidodithioate
- Molecular formula
- C25H35ClN2S2
- Molecular weight
- 463.14
Names & synonyms
40199-26-6(4-Chlorophenyl)methyl dodecyl 3-pyridinylcarbonimidodithioate(4-Chlorophenyl)methyl dodecyl-3-pyridinylcarbonimidodithioateCarbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl dodecyl ester
Database identifiers
- CAS
40199-26-6- PubChem CID
- 218077
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 576.932 · 576.932±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.091 · 1.091±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.311 · 4.311±0.12(predicted)
Chemistry & industry
Applications
UsesAgricultural chemical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…