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51308-61-3

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Basic Information
CAS No.: 51308-61-3
Name: S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate
Molecular Structure:
Molecular Structure of 51308-61-3 (S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate)
Formula: C19H24 N2 O S
Molecular Weight: 328.478
Synonyms: S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate
Density: 1.132g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 70.78000
LogP: 5.42040
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Chemistry

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

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,

Safety Profile

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.