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Home > Pyridines > 131944-98-4
131944-98-4 | 1-(4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenyl-thiourea
CAS No: 131944-98-4 Catalog No: AG01ES73 MDL No:
Product Description
Catalog Number:
AG01ES73
Chemical Name:
1-(4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenyl-thiourea
CAS Number:
131944-98-4
Molecular Formula:
C15H15N5S
Molecular Weight:
297.3781
IUPAC Name:
1-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-phenylthiourea
InChI:
InChI=1S/C15H15N5S/c1-9-8-10(2)16-13-12(9)14(20-19-13)18-15(21)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,16,17,18,19,20,21)
InChI Key:
KEGHRSSYBXOYFC-UHFFFAOYSA-N
SMILES:
S=C(Nc1n[nH]c2c1c(C)cc(n2)C)Nc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.38g/mol
Monoisotopic Mass:
297.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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