Product Name

  • Name

    (4-(1,1-Dimethylethyl)phenyl)methyl2-methylpropyl-3-pyridinylcarbonimidodithioate

  • EINECS
  • CAS No. 51308-55-5
  • Density 1.05g/cm3
  • Solubility
  • Melting Point
  • Formula C21H28 N2 S2
  • Boiling Point 497.5°Cat760mmHg
  • Molecular Weight 372.599
  • Flash Point 254.7°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 51308-55-5 ((4-(1,1-Dimethylethyl)phenyl)methyl2-methylpropyl-3-pyridinylcarbonimidodithioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms (4-(1,1-Dimethylethyl)phenyl)methyl2-methylpropyl-3-pyridinylcarbonimidodithioate
  • PSA 75.85000
  • LogP 6.68920

4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Chemical Properties

IUPAC Name: 1-[(4-tert-Butylphenyl)methylsulfanyl]-1-(2-methylpropylsulfanyl)-N-pyridin-3-ylmethanimine
Synonyms of 4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate (CAS NO.51308-55-5):1-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methylpropylsulfanyl)-N-pyridin-3-ylmethanimine
CAS NO: 51308-55-5
Molecular Formula: C21H28N2S2
Molecular Weight: 372.5904
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 75.85 Å2
Index of Refraction: 1.568
Molar Refractivity: 115.56 cm3
Molar Volume: 353 cm3
Surface Tension: 37.1 dyne/cm
Density: 1.05 g/cm3
Flash Point: 254.7 °C
Enthalpy of Vaporization: 73.64 kJ/mol
Boiling Point: 497.5 °C at 760 mmHg
Vapour Pressure: 1.51E-09 mmHg at 25°C
SMILES: S(/C(=N/c1cccnc1)SCC(C)C)Cc2ccc(cc2)C(C)(C)C
InChI: InChI=1/C21H28N2S2/c1-16(2)14-24-20(23-19-7-6-12-22-13-19)25-15-17-8-10-18(11-9-17)21(3,4)5/h6-13,16H,14-15H2,1-5H3/b23-20+
InChIKey: WANJBBNHYRAZSO-BSYVCWPDBU
Std. InChI: InChI=1S/C21H28N2S2/c1-16(2)14-24-20(23-19-7-6-12-22-13-19)25-15-17-8-10-18(11-9-17)21(3,4)5/h6-13,16H,14-15H2,1-5H3/b23-20+
Std. InChIKey: WANJBBNHYRAZSO-BSYVCWPDSA-N

4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. 3899582,

4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate Safety Profile

Moderately toxic by ingestion. When 4-tert-butylbenzyl 2-methylpropyl pyridin-3-yldithioimidocarbonate (CAS NO.51308-55-5) is heated to decomposition, it emits toxic vapors of NOx and SOx.

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