Name: Name:2-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)sulfonyl]-3-methyl-
Brand: Angene
SKU: AG0020CD
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)sulfonyl]-3-methyl-

CAS No.:

175137-65-2

Catalog Number:

AG0020CD

Molecular Formula:

C12H9ClO4S2

Molecular Weight:

316.7805

Catalog Number:

AG0020CD

Chemical Name:

2-Thiophenecarboxylic acid, 4-[(4-chlorophenyl)sulfonyl]-3-methyl-

CAS Number:

175137-65-2

Molecular Formula:

C12H9ClO4S2

Molecular Weight:

316.7805

MDL Number:

MFCD00067886

IUPAC Name:

4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxylic acid

InChI:

InChI=1S/C12H9ClO4S2/c1-7-10(6-18-11(7)12(14)15)19(16,17)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15)

InChI Key:

WZQQSJVPCVCQKE-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)S(=O)(=O)c1csc(c1C)C(=O)O

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

315.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.77g/mol

Monoisotopic Mass:

315.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3