5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
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5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
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CAS No:
136036-87-8
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Formula:
C10H6ClNO2S
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Chemical Name:
5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
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Synonyms:
5-Cl-Thio-kyna; 5-Chloro-thiokynurenate; 2-Quinolinecarboxylicacid,5-chloro-4-mercapto; 5-Chlorothiokynurenic acid; 5-chloro-4-thio-quinoline-2-carboxylic acid;
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CAS No:
5-chloro-4-sulfanylidene-1H-quinoline-2-carboxylic acid Basic Attributes
239.67800
238.9807773
DTXSID70159635
Computed Properties
Molecular Weight:239.68
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:238.9807773
Monoisotopic Mass:238.9807773
Topological Polar Surface Area:81.4
Heavy Atom Count:15
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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