AC1MTULO structure

AC1MTULO

ethyl 12,12-dimethyl-6-(prop-2-enylcarbamothioylamino)-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylate

Also Known As: ethyl 3-(3-allylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate|ethyl 7,7-dimethyl-3-[(prop-2-en-1-ylcarbamothioyl)amino]-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate

CAS: 861122-65-8
Molecular Formula C19H23N3O3S2
Molecular Weight 405.11807 g/mol
LogP 3.7967
Topological Polar Surface Area 72.48 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 405.11807
Monoisotopic Mass 405.11807
Heavy Atoms 27
Complexity 905.2272

Chemical Identifiers

CAS Number 861122-65-8
SMILES CCOC(=O)C1=C(C2=C(S1)N=C3CC(OCC3=C2)(C)C)NC(=S)NCC=C

Product Overview

AC1MTULO (CAS 861122-65-8), with molecular formula C19H23N3O3S2 and molecular weight 405.11807 g/mol. IUPAC: ethyl 12,12-dimethyl-6-(prop-2-enylcarbamothioylamino)-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-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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