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16350-59-7 | 2,4(1H,3H)-Pyrimidinedione, 5-(methylthio)-
CAS No: 16350-59-7 Catalog No: AG001U6N MDL No:
Product Description
Catalog Number:
AG001U6N
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(methylthio)-
CAS Number:
16350-59-7
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
IUPAC Name:
5-methylsulfanyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H6N2O2S/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChI Key:
HIDROJVLHKPMPH-UHFFFAOYSA-N
SMILES:
CSc1c[nH]c(=O)[nH]c1=O
UNII:
TD5540B1QM
NSC Number:
54274
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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