Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-

Base Information

• Chemical Name: Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-
• CAS No.: 7187-55-5
• Deprecated CAS: 166535-35-9,188966-70-3
• Molecular Formula: C23H23N2S2
• Molecular Weight: 391.60
• UNII: 5L7E7IY5EH
• DSSTox Substance ID: DTXSID0048264
• NCI Thesaurus Code: C72743
• Mol file: 7187-55-5.mol

Synonyms:3,3' Diethylthiadicarbocyanine;3,3'-Diethylthiadicarbocyanine;Cyanine Dye DiS-C2-(5);Dithiazanine;Dithiazanine Iodide;Dizan;Iodide, Dithiazanine

Chemical Property of Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-

Chemical Property:

• Refractive Index: 1.5800 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.29000
• Density: g/cm³
• LogP: 5.57600
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 391.13026609
• Heavy Atom Count: 27
• Complexity: 537

Purity/Quality:

99% ^*data from raw suppliers

DITHIAZANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC