2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid
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2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid
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CAS No:
733795-49-8
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Formula:
C10H9N3O2S
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Chemical Name:
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid
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Synonyms:
2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid;733795-49-8;2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid;2-(((4H-1,2,4-Triazol-3-yl)thio)methyl)benzoic acid;SMR000152853;ACMC-209oqr;MLS000565695;CHEMBL1495246;DTXSID30368802;HMS2429G17;ZINC8671478;ANW-36337;KM1546;MFCD04636902;AKOS008966978;AKOS027427122;MCULE-7226304832;BS-29322;EN300-09037;SR-01000049446;J-507594;SR-01000049446-1;Z56961381;2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzoic acid;2-[(4H-1,2,4-Triazol-3-ylthio)methyl]benzoic acid, AldrichCPR
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CAS No:
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid Basic Attributes
235.26 g/mol
235.04154771 g/mol
DTXSID30368802
Computed Properties
Molecular Weight:235.26
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:235.04154771
Monoisotopic Mass:235.04154771
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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