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Substance Name: Nithiazide
RN: 139-94-6
UNII: G9PO1G721T
InChIKey: FQSUTLQHSDLLAN-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-N4-O3-S

Molecular Weight

  • 216.2202
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Nithiazide

Synonyms

  • 1-Ethyl-3-(5-nitro-2-thiazolyl) urea
  • 4-27-00-04679 (Beilstein Handbook Reference)
  • BRN 0218168
  • CCRIS 435
  • EINECS 205-387-1
  • Hepzide
  • Hepzide 30
  • HSDB 7098
  • N-Ethyl-N'-(5-nitro-2-thiazolyl)urea
  • NCI-C03792
  • Nithiazid
  • Nithiazide
  • UNII-G9PO1G721T
  • Urea, N-ethyl-N'-(5-nitro-2-thiazolyl)-

Systematic Names

  • 1-Ethyl-3-(5-nitrothiazol-2-yl)urea
  • Nithiazide
  • Urea, 1-ethyl-3-(5-nitro-2-thiazolyl)-

Superlist Name

  • Nithiazide

Registry Numbers

CAS Registry Number

  • 139-94-6

FDA UNII

  • G9PO1G721T

System Generated Number

  • 0000139946

Structure Descriptors

InChI

1S/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)

InChIKey

FQSUTLQHSDLLAN-UHFFFAOYSA-N

Smiles

CCNC(=O)Nc1ncc(s1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2150mg/kg (2150mg/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 228 deg C   EXP
log P (octanol-water) 1.230 (none)   EST
Water Solubility 300 mg/L   EXP
Atmospheric OH Rate Constant 5.20E-12 cm3/molecule-sec 25 EST

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