ethyl 1-benzothiophene-2-carboxylate

ethyl 1-benzothiophene-2-carboxylate

CAS: 17890-55-0

Formula: C11H10O2S

SMILES: CCOC(=O)C1=CC2=CC=CC=C2S1

IUPAC: ethyl 1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3

Composition: C (64.06%), H (4.89%), O (15.51%), S (15.54%)

Molar Mass: 206.26

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.040150736
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PSLMIXGNCNQQRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.96
Topological Polar Surface Area	26.3
Polarizability	22.78
Ring Count	2
Rotatable Bond Count	3

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