4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
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4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
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CAS No:
54364-30-6
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Formula:
C8H9NO2S
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Chemical Name:
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
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Synonyms:
HMS1784E05; 2,4-Dimethyl-6-thio-pyridon-carbonsaeure-(5); 4,6-dimethyl-2-mercaptonicotinic acid; 4,6-dimethyl-2-thioxo-1,2-dihydro-pyridine-3-carboxylic acid; 2-mercapto-4,6-dimethylnicotinic acid;
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CAS No:
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid Basic Attributes
183.22800
183.03539970
DTXSID60427875
2933399090
Computed Properties
Molecular Weight:183.23
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:183.03539970
Monoisotopic Mass:183.03539970
Topological Polar Surface Area:81.4
Heavy Atom Count:12
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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