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18903-23-6 | Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 6-hydroxy-2-methyl-
CAS No: 18903-23-6 Catalog No: AG002HQK MDL No:
Product Description
Catalog Number:
AG002HQK
Chemical Name:
Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 6-hydroxy-2-methyl-
CAS Number:
18903-23-6
Molecular Formula:
C6H5N3O3S
Molecular Weight:
199.1872
IUPAC Name:
6-hydroxy-2-methyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
InChI:
InChI=1S/C6H5N3O3S/c1-2-7-4-3(13-2)5(10)9(12)6(11)8-4/h12H,1H3,(H,8,11)
InChI Key:
MYPICMPDMGFOBX-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)c(=O)n(c(=O)[nH]2)O
NSC Number:
116565
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.184g/mol
Monoisotopic Mass:
199.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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