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7597-80-0 | 2,4(1H,3H)-Pyrimidinedione,5-(2-amino-4-thiazolyl)-
CAS No: 7597-80-0 Catalog No: AG005GVN MDL No:MFCD24559554
Product Description
Catalog Number:
AG005GVN
Chemical Name:
2,4(1H,3H)-Pyrimidinedione,5-(2-amino-4-thiazolyl)-
CAS Number:
7597-80-0
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
MDL Number:
MFCD24559554
IUPAC Name:
5-(2-amino-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H6N4O2S/c8-6-10-4(2-14-6)3-1-9-7(13)11-5(3)12/h1-2H,(H2,8,10)(H2,9,11,12,13)
InChI Key:
MLTJOKBLCBPJGR-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1c[nH]c(=O)[nH]c1=O
NSC Number:
42337
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.211g/mol
Monoisotopic Mass:
210.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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