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31898-49-4

31898-49-4 structure
31898-49-4 structure

Name N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
Synonyms Acetonitrile,[(1,1-dioxido-1,2-benzisothiazol-3-yl)thio]
2-((1,1-Dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
Density 1.72g/cm3
Boiling Point 681.8ºC at 760 mmHg
Molecular Formula C12H12N4O5S2
Molecular Weight 356.37700
Flash Point 366.2ºC
Exact Mass 356.02500
PSA 158.21000
LogP 2.91750
Index of Refraction 1.755

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM0230000
CHEMICAL NAME :
4-Thiomorpholinamine, N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-, 1,1-dioxide
CAS REGISTRY NUMBER :
31898-49-4
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H12-N4-O5-S2
MOLECULAR WEIGHT :
356.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 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: 20,946,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 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: 20,946,1977

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31898-49-4 structure

31898-49-4

Literature: Neville; Verge Journal of Medicinal Chemistry, 1977 , vol. 20, # 7 p. 946 - 949

~%

31898-49-4 structure

31898-49-4

Literature: Neville; Verge Journal of Medicinal Chemistry, 1977 , vol. 20, # 7 p. 946 - 949

~%

31898-49-4 structure

31898-49-4

Literature: Neville; Verge Journal of Medicinal Chemistry, 1977 , vol. 20, # 7 p. 946 - 949

~%

31898-49-4 structure

31898-49-4

Literature: Neville; Verge Journal of Medicinal Chemistry, 1977 , vol. 20, # 7 p. 946 - 949

~%

31898-49-4 structure

31898-49-4

Literature: Neville; Verge Journal of Medicinal Chemistry, 1977 , vol. 20, # 7 p. 946 - 949