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Home > Pyridines > 454699-37-7
454699-37-7 | 2(1H)-Pyrimidinethione, 4-(2-pyridinyl)-
CAS No: 454699-37-7 Catalog No: AG00I8IK MDL No:
Product Description
Catalog Number:
AG00I8IK
Chemical Name:
2(1H)-Pyrimidinethione, 4-(2-pyridinyl)-
CAS Number:
454699-37-7
IUPAC Name:
6-pyridin-2-yl-1H-pyrimidine-2-thione
InChI:
InChI=1S/C9H7N3S/c13-9-11-6-4-8(12-9)7-3-1-2-5-10-7/h1-6H,(H,11,12,13)
InChI Key:
UPVNBRCSYKXAJY-UHFFFAOYSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| 4,4',4''-Tris(2-pyrid-yl)-2,2',2''-[(2,4,6-trimethyl-benzene-1,3,5-tri-yl)tris-(methyl-ene)tris-(sulfanedi-yl)]tripyrimidine. | Acta crystallographica. Section E, Structure reports online 20090801 |
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