- S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate
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| Name |
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate |
EINECS | N/A |
| CAS No. | 51308-71-5 | Density | 1.06g/cm3 |
| PSA | 59.78000 | LogP | 7.67710 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H36 N2 O S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 412.64 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate |
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate Chemical Properties
IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-octylpyridin-3-yl)carbamothioate
Synonyms of S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate (CAS NO.51308-71-5): Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl) O-octyl ester
InChI: InChI=1/C25H36N2OS/c1-5-6-7-8-9-10-12-22-23(13-11-18-26-22)27-24(28)29-19-20-14-16-21(17-15-20)25(2,3)4/h11,13-18H,5-10,12,19H2,1-4H3,(H,27,28)
CAS NO: 51308-71-5
Molecular Formula: C25H36N2OS
Molecular Weight : 412.6311
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 12
Polar Surface Area: 58.5 Å2
Index of Refraction: 1.565
Molar Refractivity: 126.83 cm3
Molar Volume: 388.9 cm3
Surface Tension: 42.1 dyne/cm
Density: 1.06 g/cm3
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate 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-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate Safety Profile
Moderately toxic by ingestion. When S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-octyl 3-pyridinylcarbonimidothioate (CAS NO.51308-71-5) is heated to decomposition ,it emits toxic vapors of NOx and SOx.
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