3-amino-1-benzothiophene-2-carboxylic acid

3-amino-1-benzothiophene-2-carboxylic acid

CAS: 40142-71-0

Formula: C9H7NO2S

SMILES: NC1=C(SC2=CC=CC=C12)C(O)=O

IUPAC: 3-amino-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H7NO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H,11,12)

Composition: C (55.95%), H (3.65%), N (7.25%), O (16.56%), S (16.59%)

Molar Mass: 193.22

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.019749643
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AWUMBCKNGJAKOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.14
Topological Polar Surface Area	63.32
Polarizability	19.96
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	40142-71-0		$51.35-$158.41$51.35$63.37$86.31$158.41