5-(3-nitrobenzylidine)-2-thiobarbituric acid
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5-(3-nitrobenzylidine)-2-thiobarbituric acid
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CAS No:
60045-64-9
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Formula:
C11H7N3O4S
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Chemical Name:
5-(3-nitrobenzylidine)-2-thiobarbituric acid
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Synonyms:
5-methylthiopyrimidine; 5-methylsulfanyl-pyrimidine; 5-(3-nitro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione; 5-metiltiopirimidina; 5-Methyl-cycloheptadien-(1,3); 1,3-Cycloheptadiene,5-methyl; 5-m-Nitrobenzylidene-2-thiobarbituric acid; 5-Methylmercapto-pyrimidin; 5-Methyl-1,3-cycloheptadiene;Expand
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CAS No:
Computed Properties
Molecular Weight:277.26
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:277.01572689
Monoisotopic Mass:277.01572689
Topological Polar Surface Area:136
Heavy Atom Count:19
Complexity:461
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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