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Substance Name: Benzene, 1-methoxy-4-(1-(phenylthio)propyl)-
RN: 60702-14-9
InChIKey: VAOHUBSIMCYUFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O-S

Molecular Weight

  • 258.3832
 
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Names and Synonyms

Synonyms

  • 1-(4-Methoxyphenyl)-1-phenylthiopropane
  • Anisole, p-(1-(phenylthio)propyl)-
  • BRN 1882286
  • Propane, 1-(4-methoxyphenyl)-1-phenylthio-

Systematic Name

  • Benzene, 1-methoxy-4-(1-(phenylthio)propyl)-

Registry Numbers

CAS Registry Number

  • 60702-14-9

System Generated Number

  • 0060702149

Structure Descriptors

InChI

1S/C16H18OS/c1-3-16(18-15-7-5-4-6-8-15)13-9-11-14(17-2)12-10-13/h4-12,16H,3H2,1-2H3

InChIKey

VAOHUBSIMCYUFT-UHFFFAOYSA-N

Smiles

CCC(c1ccc(cc1)OC)Sc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Pharmaceutical Chemistry Journal Vol. 13, Pg. 494, 1979.