Name: Name:4-{[2-(thiophen-3-yl)ethyl]amino}benzoic acid
Brand: Angene
SKU: AG01C01V
Rating: 90 (10 reviews)

4-{[2-(thiophen-3-yl)ethyl]amino}benzoic acid

CAS No.:

1455970-53-2

Catalog Number:

AG01C01V

Molecular Formula:

C13H13NO2S

Molecular Weight:

247.3128

Catalog Number:

AG01C01V

Chemical Name:

4-{[2-(thiophen-3-yl)ethyl]amino}benzoic acid

CAS Number:

1455970-53-2

Molecular Formula:

C13H13NO2S

Molecular Weight:

247.3128

MDL Number:

MFCD17136163

IUPAC Name:

4-(2-thiophen-3-ylethylamino)benzoic acid

InChI:

InChI=1S/C13H13NO2S/c15-13(16)11-1-3-12(4-2-11)14-7-5-10-6-8-17-9-10/h1-4,6,8-9,14H,5,7H2,(H,15,16)

InChI Key:

XRMWITIDLQUEDS-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCCc1cscc1

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.312g/mol

Monoisotopic Mass:

247.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1