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Home > Pyridines > 874779-72-3
874779-72-3 | 4-Pyridin-4-ylpyrimidine-2(1H)-thione
CAS No: 874779-72-3 Catalog No: AG00IEM9 MDL No:
Product Description
Catalog Number:
AG00IEM9
Chemical Name:
4-Pyridin-4-ylpyrimidine-2(1H)-thione
CAS Number:
874779-72-3
IUPAC Name:
6-pyridin-4-yl-1H-pyrimidine-2-thione
InChI:
InChI=1S/C9H7N3S/c13-9-11-6-3-8(12-9)7-1-4-10-5-2-7/h1-6H,(H,11,12,13)
InChI Key:
BXIKZEVIUVMSNP-UHFFFAOYSA-N
Properties
Complexity:
264
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 |
|---|---|
| 2-{[4-(Pyridin-2-yl)pyrimidin-2-yl]sulfan-yl}acetic acid. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Ethyl 2-{[4-(pyridin-4-yl)pyrimidin-2-yl]sulfan-yl}acetate. | Acta crystallographica. Section E, Structure reports online 20110301 |
| cis-1,2-Bis{[4-(4-pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzene. | Acta crystallographica. Section E, Structure reports online 20091201 |
| 4,4'-Di-4-pyridyl-2,2'-dithio-dipyrimidine. | Acta crystallographica. Section E, Structure reports online 20090701 |
| 3-{[4-(4-Pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzoic acid. | Acta crystallographica. Section E, Structure reports online 20081201 |
| 1,3-Bis[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]propane. | Acta crystallographica. Section E, Structure reports online 20080501 |
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