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13153-64-5 | 9H-Purin-2-amine, 9-ethyl-6-(methylthio)-
CAS No: 13153-64-5 Catalog No: AG000ZCP MDL No:
Product Description
Catalog Number:
AG000ZCP
Chemical Name:
9H-Purin-2-amine, 9-ethyl-6-(methylthio)-
CAS Number:
13153-64-5
Molecular Formula:
C8H11N5S
Molecular Weight:
209.2714
IUPAC Name:
9-ethyl-6-methylsulfanylpurin-2-amine
InChI:
InChI=1S/C8H11N5S/c1-3-13-4-10-5-6(13)11-8(9)12-7(5)14-2/h4H,3H2,1-2H3,(H2,9,11,12)
InChI Key:
NLCAECHDWMZGNG-UHFFFAOYSA-N
SMILES:
CSc1nc(N)nc2c1ncn2CC
NSC Number:
36836
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.271g/mol
Monoisotopic Mass:
209.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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