Name: Name:1-{12-acetyl-8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl}ethan-1-one
Brand: Angene
SKU: AG01EIKR
Rating: 90 (10 reviews)

1-{12-acetyl-8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl}ethan-1-one

CAS No.:

35105-75-0

Catalog Number:

AG01EIKR

Molecular Formula:

C16H12O2S

Molecular Weight:

268.3303

Catalog Number:

AG01EIKR

Chemical Name:

1-{12-acetyl-8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl}ethan-1-one

CAS Number:

35105-75-0

Molecular Formula:

C16H12O2S

Molecular Weight:

268.3303

MDL Number:

MFCD00430480

IUPAC Name:

1-(8-acetyldibenzothiophen-2-yl)ethanone

InChI:

InChI=1S/C16H12O2S/c1-9(17)11-3-5-15-13(7-11)14-8-12(10(2)18)4-6-16(14)19-15/h3-8H,1-2H3

InChI Key:

VBPBWRXUZDIQHT-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc2c(c1)c1cc(ccc1s2)C(=O)C

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.33g/mol

Monoisotopic Mass:

268.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6