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5813-72-9

5813-72-9 structure
5813-72-9 structure
  • Name: Acetyl(methyl) persulfide
  • Chemical Name: S-methylsulfanyl ethanethioate
  • CAS Number: 5813-72-9
  • Molecular Formula: C3H6OS2
  • Molecular Weight: 122.20900
  • Create Date: 2016-11-27 21:18:55
  • Modify Date: 2024-01-07 09:47:45

Name S-methylsulfanyl ethanethioate
Synonyms Acetyl methyl disulfide
Acetyl-methyl-disulfan
Dithioperoxyacetic acid,S-methyl ester
methyl dithioperoxyacetate
acetyl metyl disulfide
S-Methyl dithioperoxyacetate
acetyl-methyl-disulfane
Peroxyacetic acid,dithio-,S-methyl ester
Density 1.185g/cm3
Boiling Point 182.7ºC at 760 mmHg
Molecular Formula C3H6OS2
Molecular Weight 122.20900
Flash Point 71.2ºC
Exact Mass 121.98600
PSA 67.67000
LogP 1.54410
Index of Refraction 1.532

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SD8940000
CHEMICAL NAME :
Peroxyacetic acid, dithio-, S-methyl ester
CAS REGISTRY NUMBER :
5813-72-9
BEILSTEIN REFERENCE NO. :
1740200
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H6-O-S2
MOLECULAR WEIGHT :
122.21
WISWESSER LINE NOTATION :
1VSS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,202,1971