Name: Name:3-{[(2-chlorophenyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid
Brand: Angene
SKU: AG01A9KE
Rating: 90 (10 reviews)

3-{[(2-chlorophenyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid

CAS No.:

1096972-22-3

Catalog Number:

AG01A9KE

Molecular Formula:

C16H11ClO2S2

Molecular Weight:

334.8403

Catalog Number:

AG01A9KE

Chemical Name:

3-{[(2-chlorophenyl)sulfanyl]methyl}-1-benzothiophene-2-carboxylic acid

CAS Number:

1096972-22-3

Molecular Formula:

C16H11ClO2S2

Molecular Weight:

334.8403

MDL Number:

MFCD13658032

IUPAC Name:

3-[(2-chlorophenyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C16H11ClO2S2/c17-12-6-2-4-8-14(12)20-9-11-10-5-1-3-7-13(10)21-15(11)16(18)19/h1-8H,9H2,(H,18,19)

InChI Key:

GGGGZWILAXKNOI-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc2c(c1CSc1ccccc1Cl)cccc2

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.832g/mol

Monoisotopic Mass:

333.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4