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14196-95-3 | 9H-Purine-9-methanol, 6-(butylthio)-
CAS No: 14196-95-3 Catalog No: AG001HGR MDL No:
Product Description
Catalog Number:
AG001HGR
Chemical Name:
9H-Purine-9-methanol, 6-(butylthio)-
CAS Number:
14196-95-3
Molecular Formula:
C10H14N4OS
Molecular Weight:
238.3094
IUPAC Name:
(6-butylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C10H14N4OS/c1-2-3-4-16-10-8-9(11-5-12-10)14(7-15)6-13-8/h5-6,15H,2-4,7H2,1H3
InChI Key:
STWDFXDJUSTRFB-UHFFFAOYSA-N
SMILES:
CCCCSc1ncnc2c1ncn2CO
NSC Number:
114334
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.309g/mol
Monoisotopic Mass:
238.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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