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20914-62-9 | 9H-Purin-9-amine, 6-[(phenylmethyl)thio]-
CAS No: 20914-62-9 Catalog No: AG002K23 MDL No:
Product Description
Catalog Number:
AG002K23
Chemical Name:
9H-Purin-9-amine, 6-[(phenylmethyl)thio]-
CAS Number:
20914-62-9
Molecular Formula:
C12H11N5S
Molecular Weight:
257.3142
IUPAC Name:
6-benzylsulfanylpurin-9-amine
InChI:
InChI=1S/C12H11N5S/c13-17-8-16-10-11(17)14-7-15-12(10)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
InChI Key:
CWYHLPSFDNKSAL-UHFFFAOYSA-N
SMILES:
Nn1cnc2c1ncnc2SCc1ccccc1
NSC Number:
97167
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.315g/mol
Monoisotopic Mass:
257.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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