Name: Name:3-[(thiophen-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Brand: Angene
SKU: AG019Y69
Rating: 90 (10 reviews)

3-[(thiophen-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS No.:

1039891-26-3

Catalog Number:

AG019Y69

Molecular Formula:

C14H10O3S2

Molecular Weight:

290.3574

Catalog Number:

AG019Y69

Chemical Name:

3-[(thiophen-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

CAS Number:

1039891-26-3

Molecular Formula:

C14H10O3S2

Molecular Weight:

290.3574

MDL Number:

MFCD12469026

IUPAC Name:

3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C14H10O3S2/c15-14(16)13-10(8-19-12-6-3-7-18-12)9-4-1-2-5-11(9)17-13/h1-7H,8H2,(H,15,16)

InChI Key:

OPLMCFVWCCVDML-UHFFFAOYSA-N

SMILES:

OC(=O)c1oc2c(c1CSc1cccs1)cccc2

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.351g/mol

Monoisotopic Mass:

290.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2