3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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CAS No:
838875-33-5
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Formula:
C13H9N5O2S
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Chemical Name:
3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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Synonyms:
3-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid;MLS000690745;CHEMBL1328652;HMS2662D05;ZINC5804434;STK328686;STK575188;AKOS005437497;AKOS005499985;MCULE-8835187477;SMR000301176;SR-01000302232;SR-01000302232-1;3-[3-mercapto-5-(2-pyrazinyl)-4H-1,2,4-triazol-4-yl]benzoic acid;3-[3-(pyrazin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid;838875-33-5
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CAS No:
3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Basic Attributes
299.31 g/mol
299.04769572 g/mol
Computed Properties
Molecular Weight:299.31
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:299.04769572
Monoisotopic Mass:299.04769572
Topological Polar Surface Area:123
Heavy Atom Count:21
Complexity:470
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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