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Substance Name: 2-Amino-1,3,4-thiadiazole
RN: 4005-51-0
UNII: 6L41AOK74P
InChIKey: QUKGLNCXGVWCJX-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C2-H3-N3-S

Molecular Weight

  • 101.1327
 
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Names and Synonyms

Results Name

  • 2-Amino-1,3,4-thiadiazole

Name of Substance

  • 2-Amino-1,3,4-thiadiazole

Synonyms

  • 1,3,4-Thiadiazol-2-amine
  • 1,3,4-Thiadiazole, 2-amino
  • 2-Amino-1,3,4-thiadiazole
  • 2-Aminothiadiazole
  • 4-27-00-08053 (Beilstein Handbook Reference)
  • AI3-50581
  • Aminothiadazole
  • Aminothiadiazole
  • ATDA
  • BRN 0107135
  • EINECS 223-657-7
  • FDA 0084
  • NSC 4728
  • TF 128
  • UNII-6L41AOK74P
  • X 26

Systematic Names

  • 1,3,4-Thiadiazol-2-amine
  • 1,3,4-Thiadiazole, 2-amino-

Registry Numbers

CAS Registry Number

  • 4005-51-0

FDA UNII

  • 6L41AOK74P

Related Registry Number

  • 26861-87-0 (mono-hydrochloride)

System Generated Number

  • 0004005510

Structure Descriptors

InChI

1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)

InChIKey

QUKGLNCXGVWCJX-UHFFFAOYSA-N

Smiles

c1nnc(s1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 150mg/kg (150mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. PB226-610,
mouse LD50 intraperitoneal 501mg/kg (501mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Weisheng Dulixue Zazhi. Journal of Health Toxicology. Vol. 3, Pg. 194, 1989.
mouse LD50 intravenous 210mg/kg (210mg/kg) BLOOD: CHANGES IN SPLEEN

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: OTHER CHANGES
National Technical Information Service. Vol. PB226-610,
mouse LD50 oral 1525mg/kg (1525mg/kg)   National Technical Information Service. Vol. PB226-610,
rat LD50 intraperitoneal 200mg/kg (200mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS
Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 35, Pg. 68, 1976.
rat LD50 oral 253mg/kg (253mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Weisheng Dulixue Zazhi. Journal of Health Toxicology. Vol. 3, Pg. 194, 1989.
rat LD50 subcutaneous 200mg/kg (200mg/kg)   Johns Hopkins Medical Journal. Vol. 130, Pg. 95, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190-192 deg C   EXP
log P (octanol-water) -0.57 (none)   EXP
Water Solubility 3.56E+05 mg/L 25 EST
Vapor Pressure 8.28E-03 mm Hg 25 EST
Henry's Law Constant 5.51E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.86E-11 cm3/molecule-sec 25 EST

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