Acetyl(methyl) persulfide

Modify Date: 2025-09-06 12:37:14

Acetyl(methyl) persulfide Structure
Acetyl(methyl) persulfide structure
Common Name Acetyl(methyl) persulfide
CAS Number 5813-72-9 Molecular Weight 122.20900
Density 1.185g/cm3 Boiling Point 182.7ºC at 760 mmHg
Molecular Formula C3H6OS2 Melting Point N/A
MSDS N/A Flash Point 71.2ºC

 Names

Name S-methylsulfanyl ethanethioate
Synonym More Synonyms

 Chemical & Physical Properties

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
InChIKey NLVICNKKKXOHMP-UHFFFAOYSA-N
SMILES CSSC(C)=O

 Toxicological Information

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

 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
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