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Substance Name: N,N'-Dimethylthiourea
RN: 534-13-4
UNII: 8P30PMD17W
InChIKey: VLCDUOXHFNUCKK-UHFFFAOYSA-N

Classification Codes

  • Antioxidants
  • Free Radical Scavengers
  • Reproductive Effect

Molecular Formula

  • C3-H8-N2-S

Molecular Weight

  • 104.176
 
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Names and Synonyms

Name of Substance

  • N,N'-Dimethylthiourea

Synonyms

  • 1,3-Dimethyl-2-thiourea
  • 1,3-Dimethylisothiourea
  • 1,3-Dimethylthiourea
  • 4-04-00-00217 (Beilstein Handbook Reference)
  • AI3-16377
  • BRN 0605454
  • Dimethyl-2-thiourea
  • Dimethylthiocarbamide
  • EINECS 208-588-2
  • N,N'-Dimethylthiourea
  • NSC 8727
  • sym-Dimethylthiourea
  • UNII-8P30PMD17W

Systematic Names

  • 1,3-Dimethyl-2-thiourea
  • Thiourea, N,N'-dimethyl-
  • Urea, 1,3-dimethyl-2-thio-

Registry Numbers

CAS Registry Number

  • 534-13-4

FDA UNII

  • 8P30PMD17W

Other Registry Number

  • 88001-91-6

System Generated Number

  • 0000534134

Structure Descriptors

InChI

1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey

VLCDUOXHFNUCKK-UHFFFAOYSA-N

Smiles

C(NC)(NC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   Free Radical Biology and Medicine. Vol. 20, Pg. 421, 1996.
mouse LDLo oral 500mg/kg (500mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 23, Pg. 335, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 62 deg C   EXP
log P (octanol-water) -0.24 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 1.780 mm Hg 25 EST
Henry's Law Constant 7.61E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

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