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1498711-48-0 | Isothiazolo[5,4-d]pyrimidin-4(7H)-one
CAS No: 1498711-48-0 Catalog No: AG001M2Z MDL No:MFCD23703428
Product Description
Catalog Number:
AG001M2Z
Chemical Name:
Isothiazolo[5,4-d]pyrimidin-4(7H)-one
CAS Number:
1498711-48-0
Molecular Formula:
C5H3N3OS
Molecular Weight:
153.1618
MDL Number:
MFCD23703428
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
SMILES:
O=c1nc[nH]c2c1cns2
Properties
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
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