5-hydroxy-1-benzothiophene-3-carboxylic acid

5-hydroxy-1-benzothiophene-3-carboxylic acid

CAS: 16304-39-5

Formula: C9H6O3S

SMILES: OC(=O)C1=CSC2=CC=C(O)C=C12

IUPAC: 5-hydroxy-1-benzothiophene-3-carboxylic acid

InChI: InChI=1S/C9H6O3S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H,(H,11,12)

Composition: C (55.66%), H (3.11%), O (24.71%), S (16.51%)

Molar Mass: 194.2

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.003765227
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZAZIPEFQVRYIGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.64
Topological Polar Surface Area	57.53
Polarizability	19.45
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	16304-39-5		$485.10-$4,525.29$485.10$693.00$990.99$2,158.20$3,240.27$4,525.29

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	16304-39-5		$241.50-$1,293.75$241.50$258.75$289.80$886.65$1,293.75