Basic Information | Post buying leads | Suppliers |
Name |
S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate |
EINECS | N/A |
CAS No. | 42754-20-1 | Density | 1.085g/cm3 |
PSA | 70.78000 | LogP | 7.39770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H34N2OS | Boiling Point | °Cat760mmHg |
Molecular Weight | 410.67 | 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 |
IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate
Synonyms of S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate (CAS NO.42754-20-1): Carbonimidothioic acid, 3-pyridinyl-, O-(3,4-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester
InChI: InChI=1/C25H34N2OS/c1-17-8-11-20(15-18(17)2)23-22(7-6-14-26-23)27-24(28)29-16-19-9-12-21(13-10-19)25(3,4)5/h6-7,9-10,12-14,17-18,20H,8,11,15-16H2,1-5H3,(H,27,28)
InChIKey: DFKWICSTUMWXJN-UHFFFAOYAH
Std. InChI: InChI=1S/C25H34N2OS/c1-17-8-11-20(15-18(17)2)23-22(7-6-14-26-23)27-24(28)29-16-19-9-12-21(13-10-19)25(3,4)5/h6-7,9-10,12-14,17-18,20H,8,11,15-16H2,1-5H3,(H,27,28)
Std. InChIKey: DFKWICSTUMWXJN-UHFFFAOYSA-N
CAS NO: 42754-20-1
Molecular Formula: C25H34N2OS
Molecular Weight: 410.6153
Molecular Structure :
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 58.5 Å2
Index of Refraction: 1.573
Molar Refractivity: 124.76 cm3
Molar Volume: 378.2 cm3
Surface Tension: 41.6 dyne/cm
Density: 1.085 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-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate is heated to decomposition, it emits toxic vapors of NOx and SOx.