Product Name

  • Name

    N-phenyl-2-[(Z)-2H-pyrrol-2-ylidenemethyl]hydrazinecarbothioamide

  • EINECS
  • CAS No. 16431-49-5
  • Article Data3
  • CAS DataBase
  • Density 1.24g/cm3
  • Solubility
  • Melting Point
  • Formula C12H12 N4 S
  • Boiling Point 370.2°Cat760mmHg
  • Molecular Weight 244.32
  • Flash Point 177.7°C
  • Transport Information
  • Appearance
  • Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 16431-49-5 (N-phenyl-2-[(Z)-2H-pyrrol-2-ylidenemethyl]hydrazinecarbothioamide)
  • Hazard Symbols
  • Synonyms Pyrrole-2-carboxaldehyde,4-phenyl-3-thiosemicarbazone (8CI); Semicarbazide, 4-phenyl-1-(pyrrol-2-ylmethylene)-3-thio-;Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone
  • PSA
  • LogP

1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone Chemical Properties

Molecular structure of 1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone (CAS NO.16431-49-5) is:

Product Name: 1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone
CAS Registry Number: 16431-49-5
IUPAC Name: 1-phenyl-3-[[(Z)-pyrrol-2-ylidenemethyl]amino]thiourea
Molecular Weight: 244.31548 [g/mol]
Molecular Formula: C12H12N4S
XLogP3-AA: 1.7
H-Bond Donor: 3
H-Bond Acceptor: 2
Surface Tension: 47.6 dyne/cm
Density: 1.24 g/cm3
Flash Point: 177.7 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Boiling Point: 370.2 °C at 760 mmHg
Vapour Pressure: 1.13E-05 mmHg at 25°C

1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450ug/kg (0.45mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 822, 1989.

1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone Specification

 1H-Pyrrole-2-carboxaldehyde, 4-phenylthiosemicarbazone , its cas register number is 16431-49-5. It also can be called Semicarbazide, 4-phenyl-1-(2-pyrrolylmethylene)-3-thio- ; Hydrazinecarbothioamide, N-phenyl-2-(1H-pyrrol-2-
ylmethylene)- (9CI) .

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