methyl 5-(4-methoxyphenyl)-1-benzothiophene-2-carboxylate

methyl 5-(4-methoxyphenyl)-1-benzothiophene-2-carboxylate

CAS: 924869-09-0

Formula: C17H14O3S

SMILES: COC(=O)C1=CC2=CC(=CC=C2S1)C1=CC=C(OC)C=C1

IUPAC: methyl 5-(4-methoxyphenyl)-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C17H14O3S/c1-19-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16(21-15)17(18)20-2/h3-10H,1-2H3

Composition: C (68.44%), H (4.73%), O (16.09%), S (10.75%)

Molar Mass: 298.36

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	298.066365485
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KGSXDHGGAXYIHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.81
Topological Polar Surface Area	35.53
Polarizability	34.43
Ring Count	3
Rotatable Bond Count	4

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95%	<2 Days	924869-09-0		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43