1-(3,5,7-TRIMETHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE


Chemical Name: 1-(3,5,7-TRIMETHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE
CAS Number: 1016-60-0
Product Number: AG01DTD9(AG01DTD9)
Synonyms:
MDL No:
Molecular Formula: C13H14OS
Molecular Weight: 218.3147

Identification/Properties


Computed Properties
Molecular Weight:
218.314g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
218.077g/mol
Monoisotopic Mass:
218.077g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
263
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

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback