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Substance Name: Benzoxazole, 5-chloro-2-mercapto-
RN: 22876-19-3
InChIKey: BOBIZYYFYLLRAH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-Cl-N-O-S

Molecular Weight

  • 185.634
 
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Names and Synonyms

Synonyms

  • 2-Benzoxazolethiol, 5-chloro-
  • 5-Chloro-2-mercaptobenzoxazole
  • 5-Chloro-2-thioxobenzoxazoline
  • NSC 26187

Systematic Names

  • 2(3H)-Benzoxazolethione, 5-chloro- (9CI)
  • 2-Benzoxazolinethione, 5-chloro- (8CI)
  • Benzoxazole, 5-chloro-2-mercapto-

Registry Numbers

CAS Registry Number

  • 22876-19-3

System Generated Number

  • 0022876193

Structure Descriptors

InChI

1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)

InChIKey

BOBIZYYFYLLRAH-UHFFFAOYSA-N

Smiles

c12c(nc(o1)S)cc(Cl)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 337, 1964.
rat LD50 oral 1gm/kg (1000mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 339, 1964.