Product Name

  • Name

    Methyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate

  • EINECS
  • CAS No. 51308-72-6
  • Density 1.11g/cm3
  • Solubility
  • Melting Point
  • Formula C17H20 N2 S2
  • Boiling Point 461.5°Cat760mmHg
  • Molecular Weight 316.491
  • Flash Point 232.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 51308-72-6 (Methyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms Methyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
  • PSA 75.85000
  • LogP 5.48890

Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Chemical Properties

 Molecule structure of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) :

IUPAC Name: 1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine 
Molecular Weight: 316.4841 g/mol
Molecular Formula: C17H20N2S2 
Density: 1.11 g/cm3 
Boiling Point: 461.5 °C at 760 mmHg 
Flash Point: 232.9 °C
Index of Refraction: 1.595
Molar Refractivity: 96.96 cm3
Molar Volume: 285 cm3
Polarizability: 38.44×10-24 cm3
Surface Tension: 40 dyne/cm
Enthalpy of Vaporization: 69.47 kJ/mol
Vapour Pressure: 2.94E-08 mmHg at 25 °C 
XLogP3: 5.2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 316.10679
MonoIsotopic Mass: 316.10679
Topological Polar Surface Area: 25.3
Heavy Atom Count: 21 
Complexity: 323
Canonical SMILES: CC(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC
InChI: InChI=1S/C17H20N2S2/c1-13(2)15-8-6-14(7-9-15)12-21-17(20-3)19-16-5-4-10-18-11-16/h4-11,13H,12H2,1-3H3
InChIKey of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) : VZQDAYZPSVCNHM-UHFFFAOYSA-N

Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Toxicity Data With Reference

1.    

orl-mus LD50:>1 g/kg

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

Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Safety Profile

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

Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Specification

 Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) is also called Carbonimidodithioic acid, 3-pyridinyl-, methyl (4-(1-methylethyl)phenyl)methyl ester .

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