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77168-32-2 | 6-methyl-2-(2-pyridyl)pyrimidine-4-thiol
CAS No: 77168-32-2 Catalog No: AG01D0J6 MDL No:MFCD00111096
Product Description
Catalog Number:
AG01D0J6
Chemical Name:
6-methyl-2-(2-pyridyl)pyrimidine-4-thiol
CAS Number:
77168-32-2
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
MDL Number:
MFCD00111096
IUPAC Name:
6-methyl-2-pyridin-2-yl-1H-pyrimidine-4-thione
InChI:
InChI=1S/C10H9N3S/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)
InChI Key:
XFIHRBLXXUILBX-UHFFFAOYSA-N
SMILES:
Cc1cc(S)nc(n1)c1ccccn1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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