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Substance Name: Phenylmethylsulfonyl fluoride
RN: 329-98-6
UNII: 57KD15003I
InChIKey: YBYRMVIVWMBXKQ-UHFFFAOYSA-N

Note

  • An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.

Molecular Formula

  • C7-H7-F-O2-S

Molecular Weight

  • 174.1943
 

Classification Codes

  • Enzyme Inhibitors
  • Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Phenylmethylsulfonyl fluoride

MeSH Heading

  • Phenylmethylsulfonyl fluoride

Synonyms

  • 3-11-00-00331 (Beilstein Handbook Reference)
  • Benzenemethanesulfonyl fluoride
  • Benzylsulfonyl fluoride
  • Benzylsulphonyl fluoride
  • BRN 2088311
  • EINECS 206-350-2
  • NSC 88499
  • Phenylmethanesulfonyl fluoride
  • Phenylmethylsulfonyl fluoride
  • PMSF
  • UNII-57KD15003I

Systematic Names

  • alpha-Toluenesulfonyl fluoride
  • alpha-Toluenesulphonyl fluoride
  • Benzenemethanesulfonyl fluoride

Registry Numbers

CAS Registry Number

  • 329-98-6

FDA UNII

  • 57KD15003I

System Generated Number

  • 0000329986

Structure Descriptors

InChI

1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

YBYRMVIVWMBXKQ-UHFFFAOYSA-N

Smiles

c1(CS(=O)(=O)F)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Life Sciences. Vol. 31, Pg. 1193, 1982.
mouse LD50 oral 200mg/kg (200mg/kg)   Farmakologiya i Toksikologiya Vol. 39, Pg. 265, 1976.
rat LD50 intraperitoneal 150mg/kg (150mg/kg)   Nature. Vol. 173, Pg. 33, 1954.