The Molecular Structure of Semicarbazide, 4-(m-methoxyphenyl)-1-(2-pyrrolylmethylene)-3-thio- (CAS NO.126936-19-4):
Molecular Formula: C13H14N4OS
Molecular Weight: 274.341460 g/mol
IUPAC: 1-(3-methoxyphenyl)-3-[[(E)-pyrrol-2-ylidenemethyl]amino]thiourea
Index of Refraction: 1.635
Molar Refractivity: 78.1 cm3
Molar Volume: 218 cm3
Surface Tension: 45.4 dyne/cm
Density: 1.25 g/cm3
Flash Point: 197.8 °C
Enthalpy of Vaporization: 65.47 kJ/mol
Boiling Point: 403.4 °C at 760 mmHg Vapour
Pressure: 1.02E-06 mmHg at 25°C
InChI
InChI=1/C13H14N4OS/c1-18-12-6-2-4-10(8-12)16-13(19)17-15-9-11-5-3-7-14-11/h2-9,14H,1H3,(H2,16,17,19)/b15-9+
Smiles
N(\N=C\c1[nH]ccc1)C(Nc1cc(ccc1)OC)=S
1. | orl-mus LD50:1010 µg/kg | YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. 24 (1989),822. |
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
Semicarbazide, 4-(m-methoxyphenyl)-1-(2-pyrrolylmethylene)-3-thio- (CAS NO.126936-19-4) is also called as 1H-Pyrrole-2-carboxaldehyde, 4-(m-methoxyphenyl)thiosemicarbazone ; Hydrazinecarbothioamide, N-(3-methoxyphenyl)-2-(1H-pyrrol-2-ylmethylene)- (9CI) .
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