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Substance Name: 6-Aminobenzothiazole
RN: 533-30-2
UNII: 9YFG4WUJ1G
InChIKey: FAYAYUOZWYJNBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2-S

Molecular Weight

  • 150.2044
 
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Names and Synonyms

Name of Substance

  • 6-Aminobenzothiazole

Synonyms

  • 4-27-00-04884 (Beilstein Handbook Reference)
  • 6-Aminobenzothiazole
  • 6-Benzothiazolamine
  • BRN 0116381
  • CCRIS 8694
  • EINECS 208-559-4
  • NSC 170647
  • UNII-9YFG4WUJ1G

Systematic Names

  • Benzothiazol-6-amine
  • Benzothiazole, 6-amino-

Registry Numbers

CAS Registry Number

  • 533-30-2

FDA UNII

  • 9YFG4WUJ1G

System Generated Number

  • 0000533302

Structure Descriptors

InChI

1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

InChIKey

FAYAYUOZWYJNBD-UHFFFAOYSA-N

Smiles

Nc1ccc2ncsc2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1277, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 87 deg C   EXP
log P (octanol-water) 1.250 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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