3-[(thiophen-2-ylmethyl)amino]benzoic acid

3-[(thiophen-2-ylmethyl)amino]benzoic acid

Formula: C12H11NO2S

SMILES: OC(=O)C1=CC=CC(NCC2=CC=CS2)=C1

IUPAC: 3-{[(thiophen-2-yl)methyl]amino}benzoic acid

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

Composition: C (61.78%), H (4.75%), N (6.00%), O (13.72%), S (13.74%)

Molar Mass: 233.29

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.051049772
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NLPALFQBTRMEPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.01
Topological Polar Surface Area	49.33
Polarizability	23.89
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H11NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00