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Substance Name: 2H-Pyrido(2,3-e)-1,2,4-thiadiazine, 3-methyl-, 1,1-dioxide
RN: 70661-86-8
InChIKey: BTHSSYLQNVNWJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-N3-O2-S

Molecular Weight

  • 197.217
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2H-pyrido(2,3-e)-1,2,4-thiadiazine 1,1-dioxide
  • BRN 0982060

Systematic Name

  • 2H-Pyrido(2,3-e)-1,2,4-thiadiazine, 3-methyl-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 70661-86-8

System Generated Number

  • 0070661868

Structure Descriptors

InChI

1S/C7H7N3O2S/c1-5-9-7-6(3-2-4-8-7)13(11,12)10-5/h2-4H,1H3,(H,8,9,10)

InChIKey

BTHSSYLQNVNWJG-UHFFFAOYSA-N

Smiles

S1(N=C(C)Nc2c1cccn2)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 389, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.64 (none) 25 EXP
log P (octanol-water) -0.25 (none)   EXP
Water Solubility 7.39E+04 mg/L 25 EST
Vapor Pressure 7.18E-08 mm Hg 25 EST
Henry's Law Constant 1.21E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-12 cm3/molecule-sec 25 EST

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