AG001M2Z

1498711-48-0 | Isothiazolo[5,4-d]pyrimidin-4(5H)-one

AG001M2Z

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CAS Number	1498711-48-0
Catalog Number	AG001M2Z(AGN-PC-0WQX1U)
Chemical Name	Isothiazolo[5,4-d]pyrimidin-4(5H)-one
IUPAC Name	5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
InChI	InChI=1S/C5H3N3OS/c9-4-3-1-8-10-5(3)7-2-6-4/h1-2H,(H,6,7,9)
InChI Key	HIYCYXBDQNHAGJ-UHFFFAOYSA-N
MDL Number	MFCD30489072
Molecular Formula	C5H3N3OS
Molecular Weight	153.1618
SMILES	S1N=CC2=C1N=CNC2=O
Synonyms	ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE, 1498711-48-0, Isothiazolo[5,4-d]pyrimidin-4(7H)-one, 4H,5H-[1,2]Thiazolo[5,4-d]pyrimidin-4-one, SCHEMBL3863547, SCHEMBL4101278, MFCD23703428, ZINC82407492, AS-41613, X-3086, N/A,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.159g/mol
Monoisotopic Mass	153g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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