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1027082-25-2 | 7H-Pyrrolo[2,3-d]pyrimidine-2-sulfinic acid, 4-amino-
CAS No: 1027082-25-2 Catalog No: AG00086J MDL No:
Product Description
Catalog Number:
AG00086J
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-2-sulfinic acid, 4-amino-
CAS Number:
1027082-25-2
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
IUPAC Name:
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfinic acid
InChI:
InChI=1S/C6H6N4O2S/c7-4-3-1-2-8-5(3)10-6(9-4)13(11)12/h1-2H,(H,11,12)(H3,7,8,9,10)
InChI Key:
ZNUSUCCCYHZXJD-UHFFFAOYSA-N
SMILES:
OS(=O)c1nc(N)c2c(n1)[nH]cc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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