3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE 3-(TRIFLUOROMETHYL)BENZALDEHYDE ACETAL
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3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE 3-(TRIFLUOROMETHYL)BENZALDEHYDE ACETAL
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CAS No:
339028-94-3
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Formula:
C19H15F3O3S
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Chemical Name:
3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE 3-(TRIFLUOROMETHYL)BENZALDEHYDE ACETAL
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Synonyms:
3,3-bis(Hydroxymethyl)-2,3-dihydro-4H-thiochromen-4-one 3-(trifluoromethyl)benzaldehyde acetal;339028-94-3;6"-[3-(trifluoromethyl)phenyl]-2,4-dihydrospiro[1-benzothiopyran-3,3"-[1,5]dioxane]-4-one;CDS1_001118;Bionet1_000142;MLS000539521;DivK1c_002158;CHEMBL1447457;HMS568D04;HMS2184L23
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CAS No:
3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE 3-(TRIFLUOROMETHYL)BENZALDEHYDE ACETAL Basic Attributes
380.38
380.069
Computed Properties
Molecular Weight:380.4
XLogP3:3.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:380.06940000
Monoisotopic Mass:380.06940000
Topological Polar Surface Area:60.8
Heavy Atom Count:26
Complexity:531
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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