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Substance Name: Trimethylthiourea
RN: 2489-77-2
UNII: 5MHD6IL0A4
InChIKey: JAEZSIYNWDWMMN-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H10-N2-S

Molecular Weight

  • 118.203
 
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Names and Synonyms

Name of Substance

  • Trimethylthiourea

Synonyms

  • 1,1,3-Trimethyl-2-thiourea
  • 1,1,3-Trimethylthiourea
  • 1,3,3-Trimethylthiourea
  • AI3-62303
  • CCRIS 611
  • EINECS 219-644-0
  • HSDB 4095
  • N,N,N'-Trimethylthiourea
  • NCI-C02186
  • NSC 153385
  • Thiate E
  • Thiourea, trimethyl-
  • Trimethylthiourea
  • UNII-5MHD6IL0A4
  • Urea, 1,1,3-trimethyl-2-thio-

Systematic Names

  • Thiourea, N,N,N'-trimethyl-
  • Thiourea, trimethyl-
  • Trimethyl-2-thiourea
  • Trimethylthiourea
  • Urea, 1,1,3-trimethyl-2-thio-

Superlist Name

  • Trimethylthiourea

Registry Numbers

CAS Registry Number

  • 2489-77-2

FDA UNII

  • 5MHD6IL0A4

System Generated Number

  • 0002489772

Structure Descriptors

InChI

1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)

InChIKey

JAEZSIYNWDWMMN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 215mg/kg (215mg/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,
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
log P (octanol-water) 0.1 (none)   EXP
Water Solubility 1.40E+04 mg/L 25 EST
Vapor Pressure 3.000 mm Hg 25 EST
Henry's Law Constant 8.54E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-10 cm3/molecule-sec 25 EST

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