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Substance Name: 2(3H)-Thiophenone, 5-butyl-
RN: 90198-92-8
InChIKey: ZHGXMYUCVUMSCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H12-O-S

Molecular Weight

  • 156.2478
 
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Names and Synonyms

Synonyms

  • 5-17-09-00173 (Beilstein Handbook Reference)
  • 5-Butyl-2(3H)-thiophenone
  • BRN 1342479

Systematic Name

  • 2(3H)-Thiophenone, 5-butyl-

Registry Numbers

CAS Registry Number

  • 90198-92-8

System Generated Number

  • 0090198928

Structure Descriptors

InChI

1S/C8H12OS/c1-2-3-4-7-5-6-8(9)10-7/h5H,2-4,6H2,1H3

InChIKey

ZHGXMYUCVUMSCH-UHFFFAOYSA-N

Smiles

CCCCC1=CCC(=O)S1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 147, 1989.