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Substance Name: 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one
RN: 5858-07-1
UNII: K033C6226I
InChIKey: UPPUKRIDAPMTRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-Cl-O-S

Molecular Weight

  • 198.6723
 
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Names and Synonyms

Name of Substance

  • 6-Chloro-4-methylbenzo(b)thiophen-3(2H)-one

Synonyms

  • 3-Thianaphthenol, 6-chloro-4-methyl-
  • 6-Chloro-4-methylbenzo(b)thiophene-3-ol
  • AI3-61708
  • EINECS 227-483-2
  • UNII-K033C6226I

Systematic Names

  • 6-Chloro-4-methylbenzo(b)thiophene-3(2H)-one
  • Benzo(b)thiophen-3(2H)-one, 6-chloro-4-methyl-
  • Benzo(b)thiophene-3-ol, 6-chloro-4-methyl-

Registry Numbers

CAS Registry Number

  • 5858-07-1

FDA UNII

  • K033C6226I

System Generated Number

  • 0005858071

Structure Descriptors

InChI

1S/C9H7ClOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3H,4H2,1H3

InChIKey

UPPUKRIDAPMTRP-UHFFFAOYSA-N

Smiles

Cc1cc(cc2c1C(=O)CS2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 289, 1953.