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Home > Other Building Blocks > 14133-07-4
14133-07-4 | 9H-Purine-9-methanol, 6-(ethylthio)-
CAS No: 14133-07-4 Catalog No: AG001G7W MDL No:
Product Description
Catalog Number:
AG001G7W
Chemical Name:
9H-Purine-9-methanol, 6-(ethylthio)-
CAS Number:
14133-07-4
Molecular Formula:
C8H10N4OS
Molecular Weight:
210.2562
IUPAC Name:
(6-ethylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C8H10N4OS/c1-2-14-8-6-7(9-3-10-8)12(5-13)4-11-6/h3-4,13H,2,5H2,1H3
InChI Key:
PPHKAJISFSYMPB-UHFFFAOYSA-N
SMILES:
CCSc1ncnc2c1ncn2CO
NSC Number:
99939
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.255g/mol
Monoisotopic Mass:
210.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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