1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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CAS No:
690646-96-9
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Formula:
C14H17N3OS
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Chemical Name:
1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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Synonyms:
SMR000077414;MLS000050246;1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylthio)ethanone;1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone;690646-96-9;CHEMBL1550861;BDBM44694;cid_2241608;REGID_for_CID_2241608;HMS2451A24;ZINC5736684;AKOS000813273;MCULE-3174169683;VU0190755-5;MLS-0035537.0001;SR-01000280259;SR-01000280259-1;F3394-1183;Z275023536;1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone;1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethan-1-one;2-((1H-1,2,4-triazol-3-yl)thio)-1-(4-(tert-butyl)phenyl)ethanone
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CAS No:
1-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Basic Attributes
275.37 g/mol
275.10923335 g/mol
Computed Properties
Molecular Weight:275.37
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:275.10923335
Monoisotopic Mass:275.10923335
Topological Polar Surface Area:83.9
Heavy Atom Count:19
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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