3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one


Chemical Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one
CAS Number: 207306-50-1
Product Number: AG002IYY(AGN-PC-0LVEZR)
Synonyms:
MDL No: MFCD10687100
Molecular Formula: C15H17NO2S3
Molecular Weight: 339.4960

Identification/Properties


Computed Properties
Molecular Weight:
339.486g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
339.042g/mol
Monoisotopic Mass:
339.042g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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