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1450-86-8 | 4(3H)-Pyrimidinethione
CAS No: 1450-86-8 Catalog No: AG001KG6 MDL No:MFCD00127909
Product Description
Catalog Number:
AG001KG6
Chemical Name:
4(3H)-Pyrimidinethione
CAS Number:
1450-86-8
Molecular Formula:
C4H4N2S
Molecular Weight:
112.1530
MDL Number:
MFCD00127909
IUPAC Name:
1H-pyrimidine-6-thione
InChI:
InChI=1S/C4H4N2S/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChI Key:
MGAXHFMCFLLMNG-UHFFFAOYSA-N
SMILES:
S=c1ccnc[nH]1
NSC Number:
49079
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.01g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.15g/mol
Monoisotopic Mass:
112.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| tert-Butyl N-[3-hy-droxy-1-phenyl-4-(pyrimidin-2-ylsulfan-yl)butan-2-yl]carbamate monohydrate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Anti-inflammatory and immunomodulatory effects of RDV-8 [C18H22N2O2S (ethyl 1-butyl-6-methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidine-5-carboxylate)] in a rat model of induced pleurisy and in vitro lymphoproliferation. | Inflammopharmacology 20110601 |
| Synthesis and antimicrobial activity of some S-beta-D-glucosides of 4-mercaptopyrimidine. | Nucleosides, nucleotides & nucleic acids 20090901 |
| Photochemical reactions of 4-thiouridine disulfide and 4-benzylthiouridine--the involvement of the 4-pyrimidinylthiyl radical. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080201 |
| A novel method for the synthesis of 4'-thiopyrimidine nucleosides using hypervalent iodine compounds. | Organic & biomolecular chemistry 20031107 |
| Stereoselective synthesis of 1'-C-carbon-subsituted 4'-thionucleosides from 4-thiofuranoid glycal. | Nucleic acids research. Supplement (2001) 20010101 |
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