3-benzoylthiophene-2-carboxylic acid

3-benzoylthiophene-2-carboxylic acid

CAS: 30006-03-2

Formula: C12H8O3S

SMILES: OC(=O)C1=C(C=CS1)C(=O)C1=CC=CC=C1

IUPAC: 3-benzoylthiophene-2-carboxylic acid

InChI: InChI=1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)

Composition: C (62.06%), H (3.47%), O (20.67%), S (13.80%)

Molar Mass: 232.25

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.019415292
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZKHLBCVFVQJMBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.78
Topological Polar Surface Area	54.37
Polarizability	23.02
Ring Count	2
Rotatable Bond Count	3

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<6 Days	30006-03-2		$266.80$266.80

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<7 Days	30006-03-2		$355.01$355.01

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	30006-03-2		$800.00-$1,480.00$800.00$1,220.00$1,480.00