IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-ethylpyridin-3-yl)carbamothioate
Synonyms of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate (CAS NO.51308-61-3): Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl) O-ethyl ester
InChI: InChI=1/C19H24N2OS/c1-5-16-17(7-6-12-20-16)21-18(22)23-13-14-8-10-15(11-9-14)19(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,22)
CAS NO: 51308-61-3
Molecular Formula: C19H24N2OS
Molecular Weight : 328.4717
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 58.5 Å2
Index of Refraction: 1.598
Molar Refractivity: 99.03 cm3
Molar Volume: 289.9 cm3
Surface Tension: 45.4 dyne/cm
Density: 1.132 g/cm3
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | United States Patent Document. Vol. 3899582, |
Moderately toxic by ingestion. When S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate (CAS NO.51308-61-3) is heated to decomposition, it emits toxic vapors of NOx and SOx.
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