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Substance Name: 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-
RN: 113330-83-9
InChIKey: ZSSJUMWMZYLBLP-FMIVXFBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-O-S

Molecular Weight

  • 230.3296
 
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Names and Synonyms

Synonyms

  • 3-(Phenylmethylene)-5-propyl-2(3H)-thiophenone
  • BRN 4426432

Systematic Name

  • 2(3H)-Thiophenone, 3-(phenylmethylene)-5-propyl-

Registry Numbers

CAS Registry Number

  • 113330-83-9

System Generated Number

  • 0113330839

Structure Descriptors

InChI

1S/C14H14OS/c1-2-6-13-10-12(14(15)16-13)9-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3/b12-9+

InChIKey

ZSSJUMWMZYLBLP-FMIVXFBMSA-N

Smiles

CCCC1=C/C(=C\c2ccccc2)/C(=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.