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14133-10-9 | 9H-Purine-9-methanol, 6-(hexylthio)-
CAS No: 14133-10-9 Catalog No: AG001G7T MDL No:
Product Description
Catalog Number:
AG001G7T
Chemical Name:
9H-Purine-9-methanol, 6-(hexylthio)-
CAS Number:
14133-10-9
Molecular Formula:
C12H18N4OS
Molecular Weight:
266.3625
IUPAC Name:
(6-hexylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C12H18N4OS/c1-2-3-4-5-6-18-12-10-11(13-7-14-12)16(9-17)8-15-10/h7-8,17H,2-6,9H2,1H3
InChI Key:
KDPCJCZKCWKBHH-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ncnc2c1ncn2CO
NSC Number:
114335
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.363g/mol
Monoisotopic Mass:
266.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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