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18903-20-3 | Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 6-hydroxy-
CAS No: 18903-20-3 Catalog No: AG002HQM MDL No:
Product Description
Catalog Number:
AG002HQM
Chemical Name:
Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 6-hydroxy-
CAS Number:
18903-20-3
Molecular Formula:
C5H3N3O3S
Molecular Weight:
185.1606
IUPAC Name:
6-hydroxy-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C5H3N3O3S/c9-4-2-3(6-1-12-2)7-5(10)8(4)11/h1,11H,(H,7,10)
InChI Key:
KGNODANMWUBAAW-UHFFFAOYSA-N
SMILES:
On1c(=O)[nH]c2c(c1=O)scn2
NSC Number:
116567
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.157g/mol
Monoisotopic Mass:
184.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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