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Substance Name: Allylthiourea [INN]
RN: 109-57-9
UNII: 706IDJ14B7
InChIKey: HTKFORQRBXIQHD-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C4-H8-N2-S

Molecular Weight

  • 116.1872
 
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Names and Synonyms

Name of Substance

  • Allylthiourea
  • Allylthiourea [INN]
  • Thiosinamine

Synonyms

  • (2-Propenyl)thiourea
  • 1-Allyl-2-thiourea
  • 1-Allylthiourea
  • 4-04-00-01072 (Beilstein Handbook Reference)
  • AI3-17185
  • Aliltiourea
  • Aliltiourea [INN-Spanish]
  • Aliltiourea [Spanish]
  • Allylthiocarbamide
  • Allylthiomocovina
  • Allylthiomocovina [Czech]
  • Allylthiourea
  • Allylthiourea [INN-Latin]
  • Allylthiouree
  • Allylthiouree [French]
  • Allylthiouree [INN-French]
  • Aminosin
  • BRN 1071470
  • CCRIS 4572
  • EINECS 203-683-5
  • N-Allylthiourea
  • NSC 1915
  • Rhodallin
  • Rhodalline
  • Thiocynamine
  • Thiosinamin
  • Thiosinamine
  • Thiosinaminum
  • Thiosinaminum [Latin]
  • Tiosinamin
  • Tiosinamina
  • Tiosinamina [INN-Spanish]
  • Tiosinaminum
  • Tiosinaminum [INN-Latin]
  • U 19571
  • UNII-706IDJ14B7

Systematic Names

  • 1-Allyl-2-thiourea
  • Allylthiourea
  • Thiourea, 2-propenyl-
  • Thiourea, N-2-propen-1-yl-
  • Tiosinamine
  • Urea, 1-allyl-2-thio-

Registry Numbers

CAS Registry Number

  • 109-57-9

FDA UNII

  • 706IDJ14B7

System Generated Number

  • 0000109579

Structure Descriptors

InChI

1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

InChIKey

HTKFORQRBXIQHD-UHFFFAOYSA-N

Smiles

N(C(N)=S)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 110mg/kg (110mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LD50 intraperitoneal 1858mg/kg (1858mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1419, 1974.
mouse LDLo subcutaneous 700mg/kg (700mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 intraperitoneal 500mg/kg (500mg/kg) ENDOCRINE: HYPERGLYCEMIA Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 186, 1947.
rat LD50 oral 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.
rat LDLo subcutaneous 50mg/kg (50mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78 deg C   EXP
log P (octanol-water) .00E+00 (none)   EST
Water Solubility 5.90E+04 mg/L 15 EXP
Vapor Pressure 0.277 mm Hg 25 EST
Henry's Law Constant 4.55E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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