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14133-08-5 | 9H-Purine-9-methanol, 6-(propylthio)-
CAS No: 14133-08-5 Catalog No: AG001G7V MDL No:
Product Description
Catalog Number:
AG001G7V
Chemical Name:
9H-Purine-9-methanol, 6-(propylthio)-
CAS Number:
14133-08-5
Molecular Formula:
C9H12N4OS
Molecular Weight:
224.2828
IUPAC Name:
(6-propylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C9H12N4OS/c1-2-3-15-9-7-8(10-4-11-9)13(6-14)5-12-7/h4-5,14H,2-3,6H2,1H3
InChI Key:
DPYSCRJBKGQGFQ-UHFFFAOYSA-N
SMILES:
CCCSc1ncnc2c1ncn2CO
NSC Number:
99938
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.282g/mol
Monoisotopic Mass:
224.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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