[1,2, 5]Thiadiazolo[3,4-d]pyrimidin-7(6H)-one

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Names

[ CAS No. ]:
7598-41-6

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

[Synonym ]:
<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)

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4,5-Diamino-6-hydroxypyrimidine
  • Triethyl orthoformate
  • 1,2,5-Thiadiazole-3-carboxamide,4-amino-

DownStream

  • 1,2,5-Thiadiazole-3-carboxylicacid, 4-amino-, hydrazide
  • 1,2,5-Thiadiazole-3-carboxamide,4-amino-N-butyl-
  • 1,2,5-Thiadiazole-3-carboxamide,4-amino-
  • 4-amino-N-phenyl-1,2,5-thiadiazole-3-carboxamide

Related Compounds

  • 5-methylsulfanyl-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
  • 3-sulfanylidene-8-thia-2,4,7,9-tetrazabicyclo[4.3.0]nona-1,6-dien-5-one
  • [1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(3H)-one,5-amino-
  • [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7(6H)-one (8CI)
  • [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7(6H)-one, 1,7a-dihydro- (8CI)
  • [1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine