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| Name |
S-(4-tert-butylbenzyl) [2-(2-methylcyclohexyl)pyridin-3-yl]thiocarbamate |
EINECS | N/A |
| CAS No. | 42754-17-6 | Density | 1.106g/cm3 |
| PSA | 70.78000 | LogP | 7.15170 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H32N2OS | Boiling Point | °Cat760mmHg |
| Molecular Weight | 396.64 | 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 |
N/A |
S-(4-tert-butylbenzyl) [2-(2-methylcyclohexyl)pyridin-3-yl]thiocarbamate Chemical Properties
IUPAC Name: S-[(4-tert-Butylphenyl)methyl] N-[2-(2-methylcyclohexyl)pyridin-3-yl]carbamothioate
Synonyms of S-[(4-tert-Butylphenyl)methyl] N-[2-(2-methylcyclohexyl)pyridin-3-yl]carbamothioate (CAS NO.42754-17-6): Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(2-methylcyclohexyl) ester
CAS NO: 42754-17-6
Molecular Formula: C24H32N2OS
Molecular Weight: 396.5887
Molecular Structure: .png)
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: 1.106 g/cm3
InChI: InChI=1/C24H32N2OS/c1-17-8-5-6-9-20(17)22-21(10-7-15-25-22)26-23(27)28-16-18-11-13-19(14-12-18)24(2,3)4/h7,10-15,17,20H,5-6,8-9,16H2,1-4H3,(H,26,27)
InChIKey: QIEJNBINAFPPMF-UHFFFAOYAD
Std. InChI: InChI=1S/C24H32N2OS/c1-17-8-5-6-9-20(17)22-21(10-7-15-25-22)26-23(27)28-16-18-11-13-19(14-12-18)24(2,3)4/h7,10-15,17,20H,5-6,8-9,16H2,1-4H3,(H,26,27)
Std. InChIKey: QIEJNBINAFPPMF-UHFFFAOYSA-N
S-(4-tert-butylbenzyl) [2-(2-methylcyclohexyl)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-(2-methylcyclohexyl)pyridin-3-yl]thiocarbamate Safety Profile
Moderately toxic by ingestion. When S-[(4-tert-Butylphenyl)methyl] N-[2-(2-methylcyclohexyl)pyridin-3-yl]carbamothioate (CAS NO.42754-17-6) is heated to decomposition ,it emits toxic vapors of NOx and SOx.
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