(4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
Basic information
- CAS
34763-26-3- Standard SMILES
CCCCCCSC(=Nc1cccnc1)SCc1ccc(Cl)cc1- InChIKey
ZVQFZXSPOXFKDW-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2S2
- Average molar mass
- 379 g/mol
- Monoisotopic mass
- 378.0991188
Names & identifiers
- Preferred name
- (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
- IUPAC
- 1-[(4-chlorophenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine
- English name
- (4-Chlorophenyl)methyl hexyl-3-pyridinylcarbonimidodithioate
- Molecular formula
- C19H23ClN2S2
- Molecular weight
- 378.99
Names & synonyms
34763-26-3(4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioateCarbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl hexyl ester(4-Chlorophenyl)methyl hexyl-3-pyridinylcarbonimidodithioateCarbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl hexyl ester (9CI)
Database identifiers
- CAS
34763-26-3- PubChem CID
- 215010
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 512.607 · 512.607±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.154 · 1.154±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.307 · 4.307±0.12(predicted)
Chemistry & industry
Applications
UsesAgricultural chemical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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