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

Modify Date: 2025-10-17 04:43:47

[1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(3H)-one,5-amino Structure
[1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(3H)-one,5-amino structure
Common Name [1,2,5]Thiadiazolo[3,4-d]pyrimidin-7(3H)-one,5-amino
CAS Number 6301-84-4 Molecular Weight 169.16500
Density 2.51g/cm3 Boiling Point 327.1ºC at 760 mmHg
Molecular Formula C4H3N5OS Melting Point N/A
MSDS N/A Flash Point 151.7ºC

 Names

Name 5-amino-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.51g/cm3
Boiling Point 327.1ºC at 760 mmHg
Molecular Formula C4H3N5OS
Molecular Weight 169.16500
Flash Point 151.7ºC
Exact Mass 169.00600
PSA 125.79000
Index of Refraction 2.249
InChIKey HDELBCBCDHMKFX-UHFFFAOYSA-N
SMILES Nc1nc2nsnc2c(=O)[nH]1

 Synthetic Route

~%

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

[1,2,5]Thiadiaz...

CAS#:6301-84-4

Literature: Timmis Journal of the Chemical Society, 1958 , p. 804,806

~%

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

[1,2,5]Thiadiaz...

CAS#:6301-84-4

Literature: Timmis Journal of the Chemical Society, 1958 , p. 804,806

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

View more

Name: Antibacterial activity against Clostridium difficile ATCC 700057 up to 5000 ug/ml by ...
Source: ChEMBL
Target: Clostridioides difficile
External Id: CHEMBL4143518
Name: Antibacterial activity against guanine riboswitch-deficient Escherichia coli MC 4100 ...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4143519
Name: Binding affinity to Clostridium difficile [5'-32P]guaA riboswitch by polyacrylamide g...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4143516
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1

 Synonyms

thiaguanine
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