-
Name
S-((4-(1,1-Dimethylethyl)phenyl)methyl)O- (2-methylcyclohexyl)-3-pyridinylcarbonimidothioate
- EINECS
- CAS No. 42754-17-6
- Density 1.106g/cm3
- Solubility
- Melting Point
- Formula C24H32N2OS
- Boiling Point °Cat760mmHg
- Molecular Weight 396.64
- 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
- Hazard Symbols Moderately toxic by ingestion.
- Synonyms
- PSA 70.78000
- LogP 7.15170
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.
Related Products
- S-(4-tert-butylbenzyl) (2-cyclohexylpyridin-3-yl)thiocarbamate
- S-(4-tert-butylbenzyl) (2-cyclopentylpyridin-3-yl)thiocarbamate
- S-(4-tert-butylbenzyl) [2-(1,2-dimethylpropyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(1-methylpropyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(2,5-dimethylcyclohexyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(2-methylcyclohexyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(2-methylpropyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(3,5-dimethylcyclohexyl)pyridin-3-yl]thiocarbamate
- S-(4-tert-butylbenzyl) [2-(3-methylbutyl)pyridin-3-yl]thiocarbamate
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