Product Name

  • Name

    S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl)-3-pyridinylcarbonimidothioate

  • EINECS
  • CAS No. 42723-79-5
  • Density 1.106g/cm3
  • Solubility
  • Melting Point
  • Formula C24H32N2OS
  • Boiling Point 512.2±52.0 °C(Predicted)
  • Molecular Weight 396.64
  • Flash Point
  • 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 42723-79-5 (S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl)-3-pyridinylcarbonimidothioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms
  • PSA 70.78000
  • LogP 7.15170

Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester Chemical Properties

IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylcyclohexyl)pyridin-3-yl]carbamothioate
CAS NO: 42723-79-5
Molecular Formula: C24H32N2OS
Molecular Weight: 396.5887
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 58.5 Å2
Index of Refraction: 1.584
Molar Refractivity: 120.05 cm3
Molar Volume: 358.2 cm3
Surface Tension: 43.7 dyne/cm
Density of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester: 1.106 g/cm3
InChI: InChI=1/C24H32N2OS/c1-17-7-5-8-19(15-17)22-21(9-6-14-25-22)26-23(27)28-16-18-10-12-20(13-11-18)24(2,3)4/h6,9-14,17,19H,5,7-8,15-16H2,1-4H3,(H,26,27) InChIKey: WPZJWKBEMUKKJV-UHFFFAOYAP
Std. InChI: InChI=1S/C24H32N2OS/c1-17-7-5-8-19(15-17)22-21(9-6-14-25-22)26-23(27)28-16-18-10-12-20(13-11-18)24(2,3)4/h6,9-14,17,19H,5,7-8,15-16H2,1-4H3,(H,26,27)
Std. InChIKey: WPZJWKBEMUKKJV-UHFFFAOYSA-N

Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester 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

Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester Safety Profile

Moderately toxic by ingestion. When Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester (CAS NO.42723-79-5) is heated to decomposition ,it emits toxic vapors of NOx and SOx.

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