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Basic Information
CAS No.: 3670-09-5
Name: Benzyl(4-pyridyl) ketone thiosemicarbazone
Molecular Structure:
Molecular Structure of 3670-09-5 (Benzyl(4-pyridyl) ketone thiosemicarbazone)
Formula: C14H14N4S
Molecular Weight: 270.3528
Synonyms: Benzyl-[pyridyl-(4)]-keton-thiosemicarbazon;
Density: 1.22g/cm3
Boiling Point: 460.2°Cat760mmHg
Flash Point: 232.1°C
Safety: Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx.
PSA: 95.39000
LogP: 2.95280
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Chemistry

IUPAC Name: [(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
Synonyms of Benzyl 4-pyridyl ketone thiosemi carbazone (CAS NO.3670-09-5): Ketone, benzyl(4-pyridyl), thiosemicarbazone
CAS NO: 3670-09-5
Molecular Formula of Benzyl 4-pyridyl ketone thiosemi carbazone (CAS NO.3670-09-5): C14H14N4S
Molecular Weight: 270.3528
Molecular Structure:

H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 63.82 Å2
Index of Refraction: 1.649
Molar Refractivity: 80.37 cm3
Molar Volume: 220.5 cm3
Surface Tension: 47.9 dyne/cm
Density of Benzyl 4-pyridyl ketone thiosemi carbazone (CAS NO.3670-09-5): 1.22 g/cm3
Flash Point: 232.1 °C
Enthalpy of Vaporization: 72.08 kJ/mol
Boiling Point: 460.2 °C at 760 mmHg
Vapour Pressure: 1.19E-08 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 676, 1965.

Safety Profile

Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid