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Home > Other Building Blocks > 90905-46-7
90905-46-7 | 4,6-Dimethoxy-2-(methylthio)pyrimidine
CAS No: 90905-46-7 Catalog No: AG006GON MDL No:MFCD00792663
Product Description
Catalog Number:
AG006GON
Chemical Name:
4,6-Dimethoxy-2-(methylthio)pyrimidine
CAS Number:
90905-46-7
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
MDL Number:
MFCD00792663
IUPAC Name:
4,6-dimethoxy-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChI Key:
URSYQIBBJXLQBW-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)SC
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidinium chloride. | Acta crystallographica. Section E, Structure reports online 20100201 |
| 4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidine. | Acta crystallographica. Section E, Structure reports online 20090801 |
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