AC1L7LLB structure

AC1L7LLB

dimethyl 7-dimethylphosphinothioylimino-2,2,5,5-tetraphenyl-6-thia-1-aza-5λ5-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate

Also Known As: dimethyl (7Z)-7-dimethylphosphinothioylimino-2,2,5,5-tetraph|dimethyl 7-dimethylphosphinothioylimino-2,2,5,5-tetraphenyl-6-thia-1-aza-5

CAS: 66633-87-2
Molecular Formula C34H32N2O4P2S2
Molecular Weight 658.12787 g/mol
LogP 7.4
Topological Polar Surface Area 126.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 658.12787
Monoisotopic Mass 658.12787
Heavy Atoms 44
Complexity 1200.0

Chemical Identifiers

CAS Number 66633-87-2
SMILES COC(=O)C1=C(P2(N(C1(C3=CC=CC=C3)C4=CC=CC=C4)C(=NP(=S)(C)C)S2)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC
InChIKey HEXRCADGTYPKCQ-UHFFFAOYSA-N

Product Overview

AC1L7LLB (CAS 66633-87-2), with molecular formula C34H32N2O4P2S2 and molecular weight 658.12787 g/mol. IUPAC: dimethyl 7-dimethylphosphinothioylimino-2,2,5,5-tetraphenyl-6-thia-1-aza-5λ5-phosphabicyclo[3.2.0]hept-3-ene-3,4-dicarboxylate.

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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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