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114753-57-0 | 4,5,6(1H)-Pyrimidinetrione, dihydro-2-thioxo-
CAS No: 114753-57-0 Catalog No: AG000F6I MDL No:
Product Description
Catalog Number:
AG000F6I
Chemical Name:
4,5,6(1H)-Pyrimidinetrione, dihydro-2-thioxo-
CAS Number:
114753-57-0
Molecular Formula:
C4H2N2O3S
Molecular Weight:
158.1353
IUPAC Name:
2-sulfanylidene-1,3-diazinane-4,5,6-trione
InChI:
InChI=1S/C4H2N2O3S/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
InChI Key:
ZCRSPSNXDIZUKE-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=O)C(=O)N1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.131g/mol
Monoisotopic Mass:
157.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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