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Substance Name: 3-Mercapto-2-butanone
RN: 40789-98-8
UNII: 99G79565PJ
InChIKey: XLMPYCGSRHSSSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H8-O-S

Molecular Weight

  • 104.172
 
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Names and Synonyms

Name of Substance

  • 3-Mercapto-2-butanone

Synonyms

  • 2-Butanone, 3-mercapto-
  • 2-Mercapto-3-butanone
  • 3-Mercapto-2-butanone
  • 4-01-00-03993 (Beilstein Handbook Reference)
  • BRN 1737689
  • EINECS 255-082-2
  • FEMA No. 3298
  • Mercapto-3 butanone-2
  • Mercapto-3 butanone-2 [French]
  • UNII-99G79565PJ

Systematic Names

  • 2-Butanone, 3-mercapto-
  • 3-Mercaptobutan-2-one

Superlist Name

  • 3-Mercapto-2-butanone

Registry Numbers

CAS Registry Number

  • 40789-98-8

FDA UNII

  • 99G79565PJ

System Generated Number

  • 0040789988

Structure Descriptors

InChI

1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3

InChIKey

XLMPYCGSRHSSSX-UHFFFAOYSA-N

Smiles

C([C@@H](C)S)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 461, 1986.