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3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
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![3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fd3c4cb16b294a88854321da1349244d.png "3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one")
3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
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CAS No:
730994-47-5
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Formula:
C16H21N3O2S
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Chemical Name:
3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
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Synonyms:
ZINC6711119;AKOS033940411;MCULE-9258061405;AB00721759-01;SR-01000047475;SR-01000047475-1;Z25387307;3,3-dimethyl-1-({5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butan-2-one;730994-47-5
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CAS No:
3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Basic Attributes
319.4 g/mol
319.13544809 g/mol
Computed Properties
Molecular Weight:319.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:319.13544809
Monoisotopic Mass:319.13544809
Topological Polar Surface Area:93.2
Heavy Atom Count:22
Complexity:365
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
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