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89721-62-0 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[(2-aminophenyl)thio]-
CAS No: 89721-62-0 Catalog No: AG0042AT MDL No:
Product Description
Catalog Number:
AG0042AT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[(2-aminophenyl)thio]-
CAS Number:
89721-62-0
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
IUPAC Name:
6-amino-5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10N4O2S/c11-5-3-1-2-4-6(5)17-7-8(12)13-10(16)14-9(7)15/h1-4H,11H2,(H4,12,13,14,15,16)
InChI Key:
QMDIAXSCEMQMHM-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1c(N)[nH]c(=O)[nH]c1=O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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