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| Name |
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate |
EINECS | N/A |
| CAS No. | 51308-72-6 | Density | 1.11g/cm3 |
| PSA | 75.85000 | LogP | 5.48890 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H20 N2 S2 | Boiling Point | 461.5°Cat760mmHg |
| Molecular Weight | 316.491 | Flash Point | 232.9°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 |
Methyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate |
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Chemical Properties
Molecule structure of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) :
IUPAC Name: 1-methylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Molecular Weight: 316.4841 g/mol
Molecular Formula: C17H20N2S2
Density: 1.11 g/cm3
Boiling Point: 461.5 °C at 760 mmHg
Flash Point: 232.9 °C
Index of Refraction: 1.595
Molar Refractivity: 96.96 cm3
Molar Volume: 285 cm3
Polarizability: 38.44×10-24 cm3
Surface Tension: 40 dyne/cm
Enthalpy of Vaporization: 69.47 kJ/mol
Vapour Pressure: 2.94E-08 mmHg at 25 °C
XLogP3: 5.2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 316.10679
MonoIsotopic Mass: 316.10679
Topological Polar Surface Area: 25.3
Heavy Atom Count: 21
Complexity: 323
Canonical SMILES: CC(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC
InChI: InChI=1S/C17H20N2S2/c1-13(2)15-8-6-14(7-9-15)12-21-17(20-3)19-16-5-4-10-18-11-16/h4-11,13H,12H2,1-3H3
InChIKey of Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) : VZQDAYZPSVCNHM-UHFFFAOYSA-N
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Toxicity Data With Reference
| 1. | orl-mus LD50:>1 g/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 . |
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate Specification
Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate (CAS NO.51308-72-6) is also called Carbonimidodithioic acid, 3-pyridinyl-, methyl (4-(1-methylethyl)phenyl)methyl ester .
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