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7252-00-8 | 9-ethyl-6-methylthiopurine
CAS No: 7252-00-8 Catalog No: AG005GK0 MDL No:
Product Description
Catalog Number:
AG005GK0
Chemical Name:
9-ethyl-6-methylthiopurine
CAS Number:
7252-00-8
Molecular Formula:
C8H10N4S
Molecular Weight:
194.2568
IUPAC Name:
9-ethyl-6-methylsulfanylpurine
InChI:
InChI=1S/C8H10N4S/c1-3-12-5-11-6-7(12)9-4-10-8(6)13-2/h4-5H,3H2,1-2H3
InChI Key:
OQDMOHRZTMPTKT-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1ncn2CC
NSC Number:
14576
Properties
Complexity:
178
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:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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