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87756-55-6 | Pyrimidine, 2,4,6-trimethoxy-5-(methylthio)-
CAS No: 87756-55-6 Catalog No: AG004IDY MDL No:
Product Description
Catalog Number:
AG004IDY
Chemical Name:
Pyrimidine, 2,4,6-trimethoxy-5-(methylthio)-
CAS Number:
87756-55-6
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
IUPAC Name:
2,4,6-trimethoxy-5-methylsulfanylpyrimidine
InChI:
InChI=1S/C8H12N2O3S/c1-11-6-5(14-4)7(12-2)10-8(9-6)13-3/h1-4H3
InChI Key:
IJJMCKRNXYUZCI-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(c1SC)OC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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