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Home > Other Building Blocks > 14133-06-3
14133-06-3 | 9H-Purine-9-methanol, 6-(methylthio)-
CAS No: 14133-06-3 Catalog No: AG001G7X MDL No:
Product Description
Catalog Number:
AG001G7X
Chemical Name:
9H-Purine-9-methanol, 6-(methylthio)-
CAS Number:
14133-06-3
Molecular Formula:
C7H8N4OS
Molecular Weight:
196.2296
IUPAC Name:
(6-methylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C7H8N4OS/c1-13-7-5-6(8-2-9-7)11(4-12)3-10-5/h2-3,12H,4H2,1H3
InChI Key:
NLSYCDAYZMMGHW-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1ncn2CO
NSC Number:
99944
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.228g/mol
Monoisotopic Mass:
196.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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