CAS 18210-20-3 | Benzoic acid, 2-[(2-thienylmethyl)amino]- | CAS Number 18210-20-3

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18210-20-3 | Benzoic acid, 2-[(2-thienylmethyl)amino]-

CAS No: 18210-20-3 Catalog No: AG0023DU MDL No:MFCD02600726

Product Description

Catalog Number:

AG0023DU

Chemical Name:

Benzoic acid, 2-[(2-thienylmethyl)amino]-

CAS Number:

18210-20-3

Molecular Formula:

C12H11NO2S

Molecular Weight:

233.2862

MDL Number:

MFCD02600726

IUPAC Name:

2-(thiophen-2-ylmethylamino)benzoic acid

InChI:

InChI=1S/C12H11NO2S/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)

InChI Key:

UUIJUBCAVOCEEX-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1NCc1cccs1

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.285g/mol

Monoisotopic Mass:

233.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501