-
Name
S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate
- EINECS
- CAS No. 34763-52-5
- Density 1.304g/cm3
- Solubility
- Melting Point
- Formula C15H15 Cl N2 O S
- Boiling Point °Cat760mmHg
- Molecular Weight 306.816
- Flash Point °C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
- Risk Codes
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Molecular Structure
- Hazard Symbols Moderately toxic by ingestion.
- Synonyms S-((4-Chlorophenyl)methyl) O-ethyl 3-pyridinylcarbonimidothioate
- PSA 70.78000
- LogP 4.77630
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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