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Substance Name: 2-(Methylthio)benzothiazole
RN: 615-22-5
UNII: 2748L341KY
InChIKey: UTBVIMLZIRIFFR-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-S2

Molecular Weight

  • 181.282
 
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Names and Synonyms

Name of Substance

  • 2-(Methylthio)benzothiazole

Synonyms

  • 2-(Methylmercapto)benzothiazole
  • 2-(Methylthio)benzothiazole
  • AI3-51102
  • EINECS 210-417-1
  • NSC 41046
  • NSC 5352
  • UNII-2748L341KY

Systematic Names

  • 2-(Methylthio)benzothiazole
  • Benzothiazole, 2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 615-22-5

FDA UNII

  • 2748L341KY

System Generated Number

  • 0000615225

Structure Descriptors

InChI

InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

InChIKey

UTBVIMLZIRIFFR-UHFFFAOYSA-N

Smiles

CSc1nc2ccccc2s1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44 deg C   EXP
log P (octanol-water) 3.15 (none)   EXP
Water Solubility 125 mg/L 24 EXP
Vapor Pressure 2.60E-04 mm Hg 25 EST
Henry's Law Constant 1.09E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.62E-11 cm3/molecule-sec 25 EST

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