Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,1,3-Benzothiadiazole
RN: 273-13-2
InChIKey: PDQRQJVPEFGVRK-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-N2-S

Molecular Weight

  • 136.178
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2,1,3-Benzothiadiazole
  • 2-Thia-1,3-diaza-2H-isoindene
  • 3,4-Benzo-1,2,5-thiadiazole
  • AI3-23487
  • Benzisothiadiazole
  • EINECS 205-985-2
  • NSC 43636
  • NSC 679
  • Piazthiole (VAN)

Systematic Name

  • 2,1,3-Benzothiadiazole

Registry Numbers

CAS Registry Number

  • 273-13-2

System Generated Number

  • 0000273132

Structure Descriptors

InChI

1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

InChIKey

PDQRQJVPEFGVRK-UHFFFAOYSA-N

Smiles

c1ccc2nsnc2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 203 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 1770 mg/L 25 EST
Vapor Pressure 7.13E-03 mm Hg 25 EST
Henry's Law Constant 1.93E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-12 cm3/molecule-sec 25 EST

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