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| Name |
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate |
EINECS | N/A |
| CAS No. | 34763-52-5 | Density | 1.304g/cm3 |
| PSA | 70.78000 | LogP | 4.77630 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H15 Cl N2 O S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 306.816 | 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, SOx, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate |
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate Chemical Properties
Molecule structure of S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate (CAS NO.34763-52-5):
IUPAC Name: S-[(4-Chlorophenyl)methyl] N-(2-ethylpyridin-3-yl)carbamothioate
Molecular Weight: 306.8104 g/mol
Molecular Formula: C15H15ClN2OS
Density: 1.304 g/cm3
Index of Refraction: 1.647
Molar Refractivity: 85.54 cm3
Molar Volume: 235.1 cm3
Polarizability: 33.91×10-24 cm3
Surface Tension: 54.9 dyne/cm
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Tautomer Count: 4
Exact Mass: 306.059362
MonoIsotopic Mass: 306.059362
Topological Polar Surface Area: 42
Heavy Atom Count: 20
Complexity: 308
Canonical SMILES: CCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Cl
InChI: InChI=1S/C15H15ClN2OS/c1-2-13-14(4-3-9-17-13)18-15(19)20-10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKey of S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate (CAS NO.34763-52-5): SHEMOLMDSVFGNS-UHFFFAOYSA-N
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate Toxicity Data With Reference
| 1. | orl-mus LD50:700 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 . |
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate Specification
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate (CAS NO.34763-52-5) is also named as Carbonimidothioic acid, 3-pyridinyl-, S-((4-chlorophenyl)methyl) O-ethyl ester .
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