Name: Name:1-(3,5,7-TRIMETHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE
Brand: Angene
SKU: AG01DTD9
Rating: 90 (10 reviews)

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

CAS No.:

1016-60-0

Catalog Number:

AG01DTD9

Molecular Formula:

C13H14OS

Molecular Weight:

218.3147

Catalog Number:

AG01DTD9

Chemical Name:

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

CAS Number:

1016-60-0

Molecular Formula:

C13H14OS

Molecular Weight:

218.3147

MDL Number:

MFCD11207767

IUPAC Name:

1-(3,5,7-trimethyl-1-benzothiophen-2-yl)ethanone

InChI:

InChI=1S/C13H14OS/c1-7-5-8(2)12-11(6-7)9(3)13(15-12)10(4)14/h5-6H,1-4H3

InChI Key:

UTXTVLXQRMVZQV-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c2c(c1)c(C)c(s2)C(=O)C

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.314g/mol

Monoisotopic Mass:

218.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1