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Substance Name: Aminothiazole [INN]
RN: 96-50-4
UNII: 5K8WKN668K
InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C3-H4-N2-S

Molecular Weight

  • 100.145
 
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Names and Synonyms

Name of Substance

  • 2-Aminothiazole
  • Aminothiazole [INN]

Synonyms

  • 2-Aminothiazole
  • 2-Thiazolamine
  • 2-Thiazolylamine
  • 2-Thiazylamine
  • 4-Thiazolin-2-onimine
  • Abadol
  • Abadole
  • AI3-14917
  • Aminothiazol
  • Aminothiazol [INN-French]
  • Aminothiazole
  • Aminothiazolum
  • Aminothiazolum [INN-Latin]
  • Aminotiazol
  • Aminotiazol [INN-Spanish]
  • Aminotiazolo
  • Aminotiazolo [DCIT]
  • Basedol
  • CCRIS 1279
  • CP 1585
  • EINECS 202-511-6
  • NSC 1900
  • RP 2921
  • UNII-5K8WKN668K
  • USAF EK-P-5501

Systematic Names

  • 2-Aminothiazole
  • 2-Thiazolamine
  • Aminothiazole
  • Thiazole, 2-amino-

Registry Numbers

CAS Registry Number

  • 96-50-4

FDA UNII

  • 5K8WKN668K

Other Registry Numbers

  • 5654-01-3
  • 58473-79-3

Related Registry Numbers

  • 57530-25-3 (mononitrate)
  • 63589-20-8 (sulfate[1:1])

System Generated Number

  • 0000096504

Structure Descriptors

InChI

InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)

InChIKey

RAIPHJJURHTUIC-UHFFFAOYSA-N

Smiles

Nc1nccs1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 120mg/kg (120mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

BEHAVIORAL: TREMOR		 Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
guinea pig LDLo oral 120mg/kg (120mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR		 Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 oral 370mg/kg (370mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
rat LD50 intravenous 570mg/kg (570mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 211, Pg. 367, 1950.
rat LD50 oral 480mg/kg (480mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

BEHAVIORAL: TREMOR		 Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93 deg C   EXP
pKa Dissociation Constant 5.36 (none)   EXP
log P (octanol-water) 0.38 (none)   EXP
Water Solubility 5.53E+04 mg/L 25 EST
Vapor Pressure 0.243 mm Hg 25 EST
Henry's Law Constant 1.35E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.73E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.