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Substance Name: 1-Acetyl-2-thiourea
RN: 591-08-2
UNII: ZNZ5N1H713
InChIKey: IPCRBOOJBPETMF-UHFFFAOYSA-N

Classification Code

  • Reportable Quantity (RQ) = 1000 lb

Molecular Formula

  • C3-H6-N2-O-S

Molecular Weight

  • 118.159
 
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Names and Synonyms

Name of Substance

  • 1-Acetyl-2-thiourea
  • Acetylthiourea

Synonyms

  • 1-Acetyl-2-thiourea
  • 1-Acetylthiourea
  • Acetamide, N-(aminothioxomethyl)-
  • Acetothiourea
  • Acetyl thiourea
  • Acetylthiocarbamide
  • Acetylthiourea
  • AI3-24935
  • EINECS 209-699-9
  • HSDB 6034
  • N(Thiocarbamyl)acetamide
  • N-Acetyl-2-thiourea
  • N-Acetylthiocarbamide
  • N-Acetylthiourea
  • NSC 7597
  • RCRA waste number P002
  • UNII-ZNZ5N1H713
  • Urea, 1-acetyl-2-thio-
  • USAF EK-4890

Systematic Names

  • Acetamide, N-(aminothioxomethyl)-
  • Acetyl-2-thiourea
  • Urea, 1-acetyl-2-thio-

Superlist Names

  • 1-Acetyl-2-thiourea
  • Acetamide, N-(aminothioxomethyl)-
  • RCRA waste no. P002

Registry Numbers

CAS Registry Number

  • 591-08-2

FDA UNII

  • ZNZ5N1H713

System Generated Number

  • 0000591082

Structure Descriptors

InChI

1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)

InChIKey

IPCRBOOJBPETMF-UHFFFAOYSA-N

Smiles

C(NC(N)=S)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LDLo oral 94mg/kg (94mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rat LD50 oral 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.
rat LDLo intraperitoneal 400mg/kg (400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 165 deg C   EXP
log P (octanol-water) -0.270 (none)   EST
Water Solubility 1.28E+04 mg/L 15 EXP
Vapor Pressure 3.72E-04 mm Hg 25 EST
Henry's Law Constant 2.61E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.81E-11 cm3/molecule-sec 25 EST

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