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Product Name: [1,2, 5]Thiadiazolo[3,4-d]pyrimidin-7(6H)-one
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7598-41-6

7598-41-6 structure

7598-41-6 structure

Name: [1,2, 5]Thiadiazolo[3,4-d]pyrimidin-7(6H)-one
Chemical Name: [1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(6H)-one
CAS Number: 7598-41-6
Molecular Formula: C₄H₂N₄OS
Molecular Weight: 154.15000
Create Date: 2018-11-28 14:07:48
Modify Date: 2025-09-29 01:38:53

Name	[1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(6H)-one
Synonyms	<1.2.5>thiadiazolo<3.4-d>pyrimidin-7(6H)-on 6H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one 7-Oxa-tricyclo<4.3.0.05.8>nonan 9-Oxatricyclo[4.3.0.02,8]nonane(8CI,9CI) 7-Oxo-<1.2.5>thiadiazolo<3,4-d>pyrimidin-(6H)

Density	2.19g/cm3
Boiling Point	267.1ºC at 760mmHg
Molecular Formula	C₄H₂N₄OS
Molecular Weight	154.15000
Flash Point	115.4ºC
Exact Mass	153.99500
PSA	100.03000
LogP	0.18690

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XI4860000

CHEMICAL NAME :: (1,2,5)Thiadiazolo(3,4-d)pyrimidin-7(6H)-one

CAS REGISTRY NUMBER :: 7598-41-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C4-H2-N4-O-S

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 :: 890 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 11(2),82,1977

1672-50-0 structure

1672-50-0

~%

7598-41-6 structure

7598-41-6

Literature: Meyer,R.B.; Skibo,E.B. Journal of Medicinal Chemistry, 1979 , vol. 22, p. 944 - 948

122-51-0 structure

122-51-0

88947-28-8 structure

88947-28-8

~%

7598-41-6 structure

7598-41-6

Literature: Shealy,Y.F.; Clayton,J.D. Journal of Organic Chemistry, 1963 , vol. 28, p. 1491 - 1495

Precursor 3
1672-50-0 122-51-0 88947-28-8
DownStream 4
6972-14-1 7501-17-9 88947-28-8 90886-81-0

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