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Substance Name: 2H-1,2,4-Benzothiadiazine-1,1-dioxide
RN: 359-85-3
InChIKey: BBNGVMNBBLPZIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2-O2-S

Molecular Weight

  • 182.202
 
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Names and Synonyms

Name of Substance

  • 2H-1,2,4-Benzothiadiazine-1,1-dioxide

Synonyms

  • 2H-1,2,4-Benzotiodiazina 1,1-diossido
  • 2H-1,2,4-Benzotiodiazina 1,1-diossido [Italian]

Systematic Name

  • 2H-1,2,4-Benzothiadiazine, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 359-85-3

System Generated Number

  • 0000359853

Structure Descriptors

InChI

1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)

InChIKey

BBNGVMNBBLPZIR-UHFFFAOYSA-N

Smiles

c1ccc2N=CNS(=O)(=O)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2760mg/kg (2760mg/kg)   Bollettino Chimico Farmaceutico. Vol. 104, Pg. 49, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.16 (none)   EXP
Water Solubility 3.92E+04 mg/L 25 EST
Vapor Pressure 3.04E-07 mm Hg 25 EST
Henry's Law Constant 6.97E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.85E-11 cm3/molecule-sec 25 EST

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