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15996-36-8 | 9H-Purine, 6,9-dimethyl-2-(methylthio)-
CAS No: 15996-36-8 Catalog No: AG001RJU MDL No:
Product Description
Catalog Number:
AG001RJU
Chemical Name:
9H-Purine, 6,9-dimethyl-2-(methylthio)-
CAS Number:
15996-36-8
Molecular Formula:
C8H10N4S
Molecular Weight:
194.2568
IUPAC Name:
6,9-dimethyl-2-methylsulfanylpurine
InChI:
InChI=1S/C8H10N4S/c1-5-6-7(12(2)4-9-6)11-8(10-5)13-3/h4H,1-3H3
InChI Key:
IPTARUUTZWATJU-UHFFFAOYSA-N
SMILES:
CSc1nc(C)c2c(n1)n(C)cn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.256g/mol
Monoisotopic Mass:
194.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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