1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
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![1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/826c5d124da44f7e8265346052c1c13c.png "1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one")
1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
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CAS No:
685514-51-6
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Formula:
C13H23N3OS
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Chemical Name:
1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
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Synonyms:
MLS000769356;CHEMBL1535950;HMS2778C10;ZINC2218860;STK549950;AKOS001683397;MCULE-9682331810;685514-51-6;SMR000434090;SR-01000085962;1-[(3-octyl-1H-1,2,4-triazol-5-yl)thio]acetone;SR-01000085962-1;1-(5-Octyl-2H-[1,2,4]triazol-3-ylsulfanyl)-propan-2-one;1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one
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CAS No:
1-[(5-octyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Basic Attributes
269.41 g/mol
269.15618354 g/mol
Computed Properties
Molecular Weight:269.41
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:269.15618354
Monoisotopic Mass:269.15618354
Topological Polar Surface Area:83.9
Heavy Atom Count:18
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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