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88511-79-9 | 9H-Purine-2-sulfonamide
CAS No: 88511-79-9 Catalog No: AG00489K MDL No:
Product Description
Catalog Number:
AG00489K
Chemical Name:
9H-Purine-2-sulfonamide
CAS Number:
88511-79-9
Molecular Formula:
C5H5N5O2S
Molecular Weight:
199.1905
IUPAC Name:
7H-purine-2-sulfonamide
InChI:
InChI=1S/C5H5N5O2S/c6-13(11,12)5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H2,6,11,12)(H,7,8,9,10)
InChI Key:
RNEYXABXOHUZGF-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ncc2c(n1)[nH]cn2
NSC Number:
55470
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.188g/mol
Monoisotopic Mass:
199.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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