3-(phenylamino)-1-benzothiophene-2-carboxylic acid

3-(phenylamino)-1-benzothiophene-2-carboxylic acid

Formula: C15H11NO2S

SMILES: OC(=O)C1=C(NC2=CC=CC=C2)C2=CC=CC=C2S1

IUPAC: 3-(phenylamino)-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C15H11NO2S/c17-15(18)14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-14/h1-9,16H,(H,17,18)

Composition: C (66.90%), H (4.12%), N (5.20%), O (11.88%), S (11.90%)

Molar Mass: 269.32

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	269.051049772
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VDTCTUXROQMVQW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	74.92
Topological Polar Surface Area	49.33
Polarizability	29.56
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00