Product Name

  • Name

    2-BENZYLIDENEHYDRAZINE-1-CARBOTHIOAMIDE

  • EINECS
  • CAS No. 1627-73-2
  • Article Data96
  • CAS DataBase
  • Density 1.21g/cm3
  • Solubility
  • Melting Point 154 °C
  • Formula C8H9 N3 S
  • Boiling Point 316.5°Cat760mmHg
  • Molecular Weight 179.246
  • Flash Point 145.2°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. See also ALDEHYDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1627-73-2 (2-BENZYLIDENEHYDRAZINE-1-CARBOTHIOAMIDE)
  • Hazard Symbols
  • Synonyms Benzaldehyde,thiosemicarbazone (6CI,7CI,8CI); Benzalthiosemicarbazone; NSC 267
  • PSA 82.50000
  • LogP 1.94490

Benzaldehyde thiosemicarbazone Chemical Properties

Product Name: Benzaldehyde thiosemicarbazone (CAS NO.1627-73-2)


Molecular Formula: C8H9N3S
Molecular Weight: 179.24g/mol
Mol File: 1627-73-2.mol
Einecs: 216-618-0
Melting Point: 154 °C
Boiling point: 316.5 °C at 760 mmHg
Flash Point: 145.2 °C
Density: 1.21 g/cm3
Surface Tension: 45.6 dyne/cm
Enthalpy of Vaporization: 55.79 kJ/mol
Vapour Pressure: 0.000408 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 1
Structure Descriptors of Benzaldehyde thiosemicarbazone (CAS NO.1627-73-2):
IUPAC Name: [(E)-benzylideneamino]thiourea
Canonical SMILES: C1=CC=C(C=C1)C=NNC(=S)N
Isomeric SMILES: C1=CC=C(C=C1)/C=N/NC(=S)N
InChI: InChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+ 
InChIKey: UYHCMAZIKNVDSX-UXBLZVDNSA-N

Benzaldehyde thiosemicarbazone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 2, Pg. 764, 1950.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953.

Benzaldehyde thiosemicarbazone Safety Profile

Poison by ingestion. See also ALDEHYDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Benzaldehyde thiosemicarbazone Specification

 Benzaldehyde thiosemicarbazone ,its CAS NO. is 1627-73-2,the synonyms is 2-(Phenylmethylene)hydrazinecarbothioamide ; 4-07-00-00538 (Beilstein Handbook Reference) ; AI3-22958 ; BRN 2045550 ; EINECS 216-618-0 ; NSC 267 ; Hydrazinecarbothioamide, 2-(phenylmethylene)- (9CI) .

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