4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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CAS No:
497867-72-8
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Formula:
C10H9N3O2S
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Chemical Name:
4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
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Synonyms:
SDCCGMLS-0065239.P001;ZINC5571466;STK444567;STL335354;AKOS003274916;AKOS022104074;MCULE-5660073270;ST50615310;SR-01000263692;SR-01000263692-1;4-(5-methyl-3-sulfanyl-1,2,4-triazol-4-yl)benzoic acid;4-(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid;4-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)benzoic acid;4-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzoic acid;497867-72-8
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CAS No:
4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Basic Attributes
235.26 g/mol
235.04154771 g/mol
Computed Properties
Molecular Weight:235.26
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:235.04154771
Monoisotopic Mass:235.04154771
Topological Polar Surface Area:97
Heavy Atom Count:16
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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