ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 14559-12-7

Formula: C11H14O2S

SMILES: CCOC(=O)C1=CSC2=C1CCCC2

IUPAC: ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C11H14O2S/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h7H,2-6H2,1H3

Composition: C (62.83%), H (6.71%), O (15.22%), S (15.25%)

Molar Mass: 210.29

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.071450865
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PRLFFGNMYPVCOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.36
Topological Polar Surface Area	26.3
Polarizability	21.75
Ring Count	2
Rotatable Bond Count	3

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