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Substance Name: 2-Phenylbenzothiazole
RN: 883-93-2
UNII: FO573G4BGT
InChIKey: XBHOUXSGHYZCNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-N-S

Molecular Weight

  • 211.287
 
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Names and Synonyms

Name of Substance

  • 2-Phenylbenzothiazole

Synonyms

  • 2-Phenylbenzothiazole
  • 4-27-00-01385 (Beilstein Handbook Reference)
  • AI3-00636
  • BRN 0141340
  • EINECS 212-935-3
  • NSC 1854
  • NSC 2034
  • UNII-FO573G4BGT

Systematic Names

  • 2-Phenylbenzothiazole
  • Benzothiazole, 2-phenyl-

Registry Numbers

CAS Registry Number

  • 883-93-2

FDA UNII

  • FO573G4BGT

System Generated Number

  • 0000883932

Structure Descriptors

InChI

1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

InChIKey

XBHOUXSGHYZCNH-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)nc2ccccc2s1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 930, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115 deg C   EXP
Boiling Point 371 deg C   EXP
log P (octanol-water) 4.26 (none)   EXP
Water Solubility 8.800 mg/L 25 EST
Vapor Pressure 4.84E-06 mm Hg 25 EST
Henry's Law Constant 2.87E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

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