2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt

Base Information

• Chemical Name: 2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt
• CAS No.: 54136-26-4
• Molecular Formula: C15H21NO3S
• Molecular Weight: 295.403
• DSSTox Substance ID: DTXSID30440117
• Wikidata: Q82256325
• ChEMBL ID: CHEMBL2393310
• Mol file: 54136-26-4.mol

Synonyms:54136-26-4;2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt;4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate;1-(4-Sulfobutyl)-2,3,3-trimethylindolium, inner salt;4-(2,3,3-Trimethylindolio)butanesulfonate;4-(2,3,3-Trimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate;1-(4-Sulfobutyl)-2,3,3-trimethylindolium Inner Salt;SBB042435;starbld0003781;YSZC1868;CHEMBL2393310;SCHEMBL15573937;DTXSID30440117;XTNXDHCAMPMVRG-UHFFFAOYSA-N;MFCD08166699;AKOS000270801;AT37361;2,3,3-Trimethyl-1-(4-sulfobutyl)indolium, inner salt, >=98.0% (HPLC)

Chemical Property of 2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt

Chemical Property:

• PSA: 68.59000
• LogP: 3.44770
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.12421471
• Heavy Atom Count: 20
• Complexity: 474

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Sulfobutyl)-2,3,3-trimethylindoliumInnerSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]
• Uses: 2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt is a reactant used in the preparation of carbocyanine near IR fluorescent dyes. 1-(4-Sulfobutyl)-2,3,3-trimethylindolium Inner Salt is a reactant used in the preparation of carbocyanine near IR fluorescent dyes.