Product Name

  • Name

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

  • EINECS
  • CAS No. 51308-70-4
  • Density 1.09g/cm3
  • Solubility
  • Melting Point
  • Formula C22H30 N2 O S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 370.559
  • Flash Point °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 51308-70-4 (S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylbutyl)-3-pyridinylcarbonimidothioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylbutyl)-3-pyridinylcarbonimidothioate
  • PSA 70.78000
  • LogP 6.44660

S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate Chemical Properties

IUPAC Name: S-[(4-tert-Butylphenyl)methyl] N-[2-(3-methylbutyl)pyridin-3-yl]carbamothioate
Synonyms of S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate (CAS NO.51308-70-4):Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylbutyl) ester
CAS NO: 51308-70-4
Molecular Formula: C22H30N2OS
Molecular Weight: 370.5514
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 58.5Å2
Index of Refraction: 1.578
Molar Refractivity: 112.89 cm3
Molar Volume: 339.8 cm3
Surface Tension: 42.8 dyne/cm
Density: 1.09 g/cm3
InChI: InChI=1/C22H30N2OS/c1-16(2)8-13-19-20(7-6-14-23-19)24-21(25)26-15-17-9-11-18(12-10-17)22(3,4)5/h6-7,9-12,14,16H,8,13,15H2,1-5H3,(H,24,25)
InChIKey: PJENYZAPWWYONQ-UHFFFAOYAB
Std. InChI: InChI=1S/C22H30N2OS/c1-16(2)8-13-19-20(7-6-14-23-19)24-21(25)26-15-17-9-11-18(12-10-17)22(3,4)5/h6-7,9-12,14,16H,8,13,15H2,1-5H3,(H,24,25)
Std. InChIKey: PJENYZAPWWYONQ-UHFFFAOYSA-N

S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate 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

S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate Safety Profile

Moderately toxic by ingestion. When S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate (CAS NO.51308-70-4) is heated to decomposition, it emits toxic vapors of NOx and SOx.

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