Product Name

  • Name

    THIONICOTINAMIDE

  • EINECS 225-036-6
  • CAS No. 4621-66-3
  • Article Data42
  • CAS DataBase
  • Density 1.265 g/cm3
  • Solubility
  • Melting Point 185-190 °C
  • Formula C6H6N2S
  • Boiling Point 278.869 °C at 760 mmHg
  • Molecular Weight 138.193
  • Flash Point 122.456 °C
  • Transport Information
  • Appearance yellow powder
  • Safety 24/25-36-26
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 4621-66-3 (THIONICOTINAMIDE)
  • Hazard Symbols HarmfulXn
  • Synonyms Nicotinamide,thio- (6CI,7CI,8CI);3-(Aminothiocarbonyl)pyridine;3-Thioamidopyridine;3-Thiocarbamoylpyridine;NSC18336;Nicotinic acid thioamide;Thio-3-pyridinecarboxamide;
  • PSA 71.00000
  • LogP 1.41610

Thionicotinamide Chemical Properties

IUPAC Name: pyridine-3-carbothioamide 
Empirical Formula: C6H6N2S
Molecular Weight: 138.1902g/mol
EINECS: 225-036-6 
Structure of 3-Pyridinecarbothioamide (CAS NO.4621-66-3):

Index of Refraction: 1.664
Molar Refractivity: 40.53 cm3
Molar Volume: 109.2 cm3
Polarizability: 16.06×10-24cm3
Surface Tension: 71.2 dyne/cm
Density: 1.265 g/cm3
Flash Point: 122.5 °C
Enthalpy of Vaporization: 51.75 kJ/mol 
Melting Point: 185-190 °C
Boiling Point: 278.9 °C at 760 mmHg
Vapour Pressure: 0.00415 mmHg at 25°C 
Chemical Properties: yellow powder
Canonical SMILES: C1=CC(=CN=C1)C(=S)N
InChI: InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey: XQWBMZWDJAZPPX-UHFFFAOYSA-N

Thionicotinamide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD25 intraperitoneal 105mg/kg (105mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Journal of Organic Chemistry. Vol. 19, Pg. 753, 1954.

Thionicotinamide Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: QS4488000

Thionicotinamide Specification

  3-Pyridinecarbothioamide , its cas register number is 4621-66-3. It also can be called 3-Thioamidopyridine ; 3-Thiocarbamoylpyridine ; 5-22-02-00187 (Beilstein Handbook Reference) ; BRN 0109593 ; NSC 18336 ; 
 Nicotinothioamide ; Thio-3-pyridinecarboxamide ; Thionicotinamide . 3-Pyridinecarbothioamide (CAS NO.4621-66-3) is irritating to eyes, respiratory system and skin and it's harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

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