2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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![2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/97dafb981345412a980d0ea37a430d18.png "2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid")
2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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CAS No:
313250-95-2
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Formula:
C15H17N3O2S
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Chemical Name:
2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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Synonyms:
Cambridge id 5737815;Oprea1_360382;Oprea1_571053;ZINC2932532;STL325202;AKOS000581768;MCULE-4144932331;ST50426553;AB00095315-01;2-[4-(2-methylprop-2-enyl)-5-benzyl-1,2,4-triazol-3-ylthio]acetic acid;{[5-benzyl-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;313250-95-2
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CAS No:
2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes
303.4 g/mol
303.10414797 g/mol
Computed Properties
Molecular Weight:303.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:303.10414797
Monoisotopic Mass:303.10414797
Topological Polar Surface Area:93.3
Heavy Atom Count:21
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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