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873436-89-6 | 8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine
CAS No: 873436-89-6 Catalog No: AG01FLLU MDL No:
Product Description
Catalog Number:
AG01FLLU
Chemical Name:
8-[(6-Iodobenzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine
CAS Number:
873436-89-6
IUPAC Name:
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine
InChI:
InChI=1S/C12H8IN5O2S/c13-5-1-6-7(20-4-19-6)2-8(5)21-12-17-9-10(14)15-3-16-11(9)18-12/h1-3H,4H2,(H3,14,15,16,17,18)
InChI Key:
BFOWGJNWQLLISB-UHFFFAOYSA-N
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.944g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
413.193g/mol
Monoisotopic Mass:
412.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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