2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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![2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0205c3385b5d4a53b28bab9a6546ab4c.png "2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid")
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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CAS No:
58755-01-4
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Formula:
C10H9N3O2S
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Chemical Name:
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
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Synonyms:
58755-01-4;NSC631561;[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid;2-(5-phenyl-4H-1,2,4-triazol-3-ylthio)acetic acid;[(5-Phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid;2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid;(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;((5-Phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid;ChemDiv1_008629;CHEMBL1972560;HMS611I05;Acetic acid, [(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-;DTXSID10327098;ALBB-012091;ZINC6530212;BBL037266;MFCD00763778;SBB027515;STL508439;AKOS000265116;AKOS005265086;CCG-109801;MCULE-8616018099;NSC-631561;NCI60_010362;VS-14031;R3781;ST45025121;SR-01000472372;SR-01000472372-1;2-((5-Phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid;acetic acid, [(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-;(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, AldrichCPR
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CAS No:
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Basic Attributes
235.26 g/mol
235.04154771 g/mol
631561
DTXSID10327098
Computed Properties
Molecular Weight:235.26
XLogP3:2.1
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:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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