Name: Name:1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one
Brand: Angene
SKU: AG01A0YZ
Rating: 90 (10 reviews)

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one

CAS No.:

57021-52-0

Catalog Number:

AG01A0YZ

Molecular Formula:

C10H12OS

Molecular Weight:

180.2667

Catalog Number:

AG01A0YZ

Chemical Name:

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one

CAS Number:

57021-52-0

Molecular Formula:

C10H12OS

Molecular Weight:

180.2667

MDL Number:

MFCD01939673

IUPAC Name:

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

InChI:

InChI=1S/C10H12OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h6H,2-5H2,1H3

InChI Key:

OOVKGAIPPWKBGJ-UHFFFAOYSA-N

SMILES:

CC(=O)c1cc2c(s1)CCCC2

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.265g/mol

Monoisotopic Mass:

180.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8