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24648-61-1 | 2,4(1H,3H)-Pyrimidinedione, 5-[(1H-imidazol-2-ylthio)methyl]-
CAS No: 24648-61-1 Catalog No: AG002OXT MDL No:
Product Description
Catalog Number:
AG002OXT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[(1H-imidazol-2-ylthio)methyl]-
CAS Number:
24648-61-1
Molecular Formula:
C8H8N4O2S
Molecular Weight:
224.2397
IUPAC Name:
5-(1H-imidazol-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C8H8N4O2S/c13-6-5(3-11-7(14)12-6)4-15-8-9-1-2-10-8/h1-3H,4H2,(H,9,10)(H2,11,12,13,14)
InChI Key:
VPYDCKMUGXSIJA-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]cc1CSc1ncc[nH]1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.238g/mol
Monoisotopic Mass:
224.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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