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Substance Name: Triazene, 3,3-dimethyl-1-(m-methylthiophenyl)-
RN: 52416-14-5
InChIKey: CWWODDIXPTUZOV-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N3-S

Molecular Weight

  • 195.289
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-1-(3-methylthiophenyl)triazene
  • 3,3-Dimethyl-1-(m-methylthiophenyl)triazene
  • BRN 1841596

Systematic Name

  • Triazene, 3,3-dimethyl-1-(m-methylthiophenyl)-

Registry Numbers

CAS Registry Number

  • 52416-14-5

System Generated Number

  • 0052416145

Structure Descriptors

InChI

1S/C9H13N3S/c1-12(2)11-10-8-5-4-6-9(7-8)13-3/h4-7H,1-3H3/b11-10+

InChIKey

CWWODDIXPTUZOV-ZHACJKMWSA-N

Smiles

c1c(SC)cccc1\N=N\N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 342mg/kg (342mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1299, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 132 mg/L 25 EST
Vapor Pressure 3.27E-03 mm Hg 25 EST
Henry's Law Constant 1.56E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.34E-12 cm3/molecule-sec 25 EST

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