1,3,3-Trimethyl-2-(2-{2-(phenylsulfanyl)-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium chloride

Base Information

• Chemical Name: 1,3,3-Trimethyl-2-(2-{2-(phenylsulfanyl)-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium chloride
• CAS No.: 269401-43-6
• Molecular Formula: C38H41N2S.Cl
• Molecular Weight: 593.27
• European Community (EC) Number: 812-345-1
• DSSTox Substance ID: DTXSID40699639
• Mol file: 269401-43-6.mol

Synonyms:1,3,3-Trimethyl-2-(2-{2-(phenylsulfanyl)-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium chloride;269401-43-6;1,3,3-trimethyl-2-[2-[2-phenylsulfanyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole;chloride;DTXSID40699639

Chemical Property of 1,3,3-Trimethyl-2-(2-{2-(phenylsulfanyl)-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 592.2678982
• Heavy Atom Count: 42
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

1,3,3-TRIMETHYL-2-(2-[2-PHENYLSULFANYL-3-[2-(1,3,3-TRIMETHYL-1,3-DIHYDROINDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEX-1-ENYL]VINYL)-3H-INDOLIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)SC6=CC=CC=C6)C)C.[Cl-]