Product Name

  • Name

    O-Butyl S-((3,4-dichlorophenyl)methyl)-3-pyridinylcarbonimidodithioate

  • EINECS
  • CAS No. 34763-54-7
  • Density 1.318g/cm3
  • Solubility
  • Melting Point
  • Formula C17H18 Cl2 N2 O S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 369.315
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 34763-54-7 (O-Butyl S-((3,4-dichlorophenyl)methyl)-3-pyridinylcarbonimidodithioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms O-Butyl S-((3,4-dichlorophenyl)methyl)-3-pyridinylcarbonimidodithioate
  • PSA 59.78000
  • LogP 6.12600

N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate Chemical Properties

Molecule structure of N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate (CAS NO.34763-54-7):

IUPAC Name: S-[(3,4-Dichlorophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate 
Molecular Weight: 369.30862 g/mol
Molecular Formula: C17H18Cl2N2OS 
Density: 1.318 g/cm3
Index of Refraction: 1.63
Molar Refractivity: 99.7 cm3
Molar Volume: 280.1 cm3
Surface Tension: 52.9 dyne/cm 
XLogP3-AA: 5.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 368.051689
MonoIsotopic Mass: 368.051689
Topological Polar Surface Area: 42
Heavy Atom Count: 23
Complexity: 373
Canonical SMILES: CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2OS/c1-2-3-5-15-16(6-4-9-20-15)21-17(22)23-11-12-7-8-13(18)14(19)10-12/h4,6-10H,2-3,5,11H2,1H3,(H,21,22)
InChIKey of N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate (CAS NO.34763-54-7): UJCBOPLWWDKGLE-UHFFFAOYSA-N

N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate Toxicity Data With Reference

1.    

orl-mus LD50:>600 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 .

N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.

N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate Specification

 N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate (CAS NO.34763-54-7) is also named as O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate ; Carbonimidothioic acid, 3-pyridinyl-, O-butyl S-((3,4-dichlorophenyl)methyl) ester .

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