3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
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![3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/65b604f70f0a46ecb2aa3d2e4b8c5a4b.png "3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid")
3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
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CAS No:
690249-55-9
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Formula:
C12H13N3O2S2
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Chemical Name:
3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
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Synonyms:
3-(4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)propanoic acid;690249-55-9;SMR000082199;MLS000100224;CHEMBL1523541;HMS1600I03;HMS2298B04;ZINC2709012;STK871918;AKOS000809936;MCULE-7241468259;3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid;ST50777185;SR-01000298777;SR-01000298777-1;F1743-0034;3-((4-allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid;3-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid;3-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
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CAS No:
3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Basic Attributes
295.4 g/mol
295.04491901 g/mol
Computed Properties
Molecular Weight:295.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:295.04491901
Monoisotopic Mass:295.04491901
Topological Polar Surface Area:122
Heavy Atom Count:19
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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