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1004-76-8 | 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
CAS No: 1004-76-8 Catalog No: AG0001WN MDL No:MFCD00012187
Product Description
Catalog Number:
AG0001WN
Chemical Name:
4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
CAS Number:
1004-76-8
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
MDL Number:
MFCD00012187
IUPAC Name:
5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChI Key:
QYSWOQHLIDKEOL-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=S)[nH]c(=O)c1N
EC Number:
213-727-5
NSC Number:
45759
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Optical mesosensors for monitoring and removal of ultra-trace concentration of Zn(II) and Cu(II) ions from water. | The Analyst 20121121 |
| Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening. | Bioorganic & medicinal chemistry letters 20121015 |
| Preliminary finding on a new calcium channel entry blocker chemotype: 5,6-diamino-4-hydroxy-2-mercaptopyrimidine derivatives. | Journal of medicinal chemistry 20110811 |
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