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20914-61-8 | 9H-Purin-9-amine, 6-(methylthio)-
CAS No: 20914-61-8 Catalog No: AG002K24 MDL No:
Product Description
Catalog Number:
AG002K24
Chemical Name:
9H-Purin-9-amine, 6-(methylthio)-
CAS Number:
20914-61-8
Molecular Formula:
C6H7N5S
Molecular Weight:
181.2183
IUPAC Name:
6-methylsulfanylpurin-9-amine
InChI:
InChI=1S/C6H7N5S/c1-12-6-4-5(8-2-9-6)11(7)3-10-4/h2-3H,7H2,1H3
InChI Key:
IIXIVKQCVIUIOF-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1ncn2N
NSC Number:
107416
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.217g/mol
Monoisotopic Mass:
181.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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