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13568-76-8 | 1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-5-one
CAS No: 13568-76-8 Catalog No: AG019SBG MDL No:MFCD20502016
Product Description
Catalog Number:
AG019SBG
Chemical Name:
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-5-one
CAS Number:
13568-76-8
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
MDL Number:
MFCD20502016
IUPAC Name:
1,3-dimethyl-4H-pyrazolo[3,4-b][1,4]thiazin-5-one
InChI:
InChI=1S/C7H9N3OS/c1-4-6-7(10(2)9-4)12-3-5(11)8-6/h3H2,1-2H3,(H,8,11)
InChI Key:
TVNQKWOUDNXVBS-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)c(C)nn2C
UNII:
A61UU4R268
NSC Number:
144776
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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