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89142-51-8 | 7H-Purine, 6-(methylthio)-7-propyl-
CAS No: 89142-51-8 Catalog No: AG003YXT MDL No:
Product Description
Catalog Number:
AG003YXT
Chemical Name:
7H-Purine, 6-(methylthio)-7-propyl-
CAS Number:
89142-51-8
Molecular Formula:
C9H12N4S
Molecular Weight:
208.2834
IUPAC Name:
6-methylsulfanyl-7-propylpurine
InChI:
InChI=1S/C9H12N4S/c1-3-4-13-6-12-8-7(13)9(14-2)11-5-10-8/h5-6H,3-4H2,1-2H3
InChI Key:
AFYAKYQGFOIQGN-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1c(SC)ncn2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.283g/mol
Monoisotopic Mass:
208.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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