AC1LYKQ5 structure

AC1LYKQ5

ethyl 2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: Oprea1_063083|SR-01000438497-1|ETHYL 2-(4-IODOBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-(4-iodobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|ethyl 2-{[(4-iodophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 312940-01-5
Molecular Formula C18H18INO3S
Molecular Weight 455.00522 g/mol
LogP 4.6605
Topological Polar Surface Area 55.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 455.00522
Monoisotopic Mass 455.00522
Heavy Atoms 24
Complexity 767.3162

Chemical Identifiers

CAS Number 312940-01-5
SMILES CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)I

Product Overview

AC1LYKQ5 (CAS 312940-01-5), with molecular formula C18H18INO3S and molecular weight 455.00522 g/mol. IUPAC: ethyl 2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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