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Substance Name: N,N'-Diethylthiourea
RN: 105-55-5
UNII: J2RDK7O9MZ
InChIKey: FLVIGYVXZHLUHP-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C5-H12-N2-S

Molecular Weight

  • 132.23
 
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Names and Synonyms

Name of Substance

  • N,N'-Diethylthiourea

Synonyms

  • 1,3-Diethyl-2-thiourea
  • 1,3-Diethylthiourea
  • 4-04-00-00375 (Beilstein Handbook Reference)
  • AI3-14636
  • BRN 0773905
  • CCRIS 243
  • EC 203-308-5
  • EINECS 203-308-5
  • HSDB 4106
  • N,N'-Diethylthiocarbamide
  • N,N'-Diethylthiourea
  • N,N-Diethyl-2-thiourea
  • NCI-C03816
  • NSC 3507
  • Pennzone E
  • Thiate H
  • Thiourea, N,N'-diethyl-
  • U 15030
  • UNII-J2RDK7O9MZ
  • Urea, 1,3-diethyl-2-thio-
  • USAF EK-1803

Systematic Names

  • 1,3-Diethyl-2-thiourea
  • N,N'-Diethylthiourea
  • Thiourea, N,N'-diethyl-
  • Urea, 1,3-diethyl-2-thio-

Superlist Name

  • N,N'-Diethylthiourea

Registry Numbers

CAS Registry Number

  • 105-55-5

FDA UNII

  • J2RDK7O9MZ

Other Registry Number

  • 27598-95-4

System Generated Number

  • 0000105555

Structure Descriptors

InChI

1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey

FLVIGYVXZHLUHP-UHFFFAOYSA-N

Smiles

C(NCC)(NCC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LDLo oral 62mg/kg (62mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rat LD50 oral 316mg/kg (316mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78 deg C   EXP
log P (octanol-water) 0.57 (none)   EXP
Water Solubility 769 mg/L 37 EXP
Vapor Pressure 0.240 mm Hg 25 EST
Henry's Law Constant 6.85E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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