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

cas: 54136-26-4 — see every product listed under this CAS number, including other names

2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt (CAS 54136-26-4) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 50mg, 500mg, 5g, 250mg, 1000mg. Offered by: Biosynth, Chemat.

• 2D
• 3D

4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate (CAS 54136-26-4) is a chemical compound with the molecular formula C15H21NO3S and a molecular weight of 295.4 g/mol. IUPAC name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate. InChIKey: XTNXDHCAMPMVRG-UHFFFAOYSA-N.

Identity

Molecular formula	C15H21NO3S
Molecular weight	295.4 g/mol
IUPAC name	4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate
InChIKey	XTNXDHCAMPMVRG-UHFFFAOYSA-N
SMILES	CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: 2,3,3-Trimethyl-1-(4-sulfobutyl)-indolium, inner salt, 4-(2,3,3-Trimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate, 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, 1-(4-Sulfobutyl)-2,3,3-trimethylindolium, inner salt, starbld0003781, 4-(2,3,3-Trimethylindole)butanesulfonate, 4-(2,3,3-trimethyl-3-hydroindolyl)butanesulfonic acid, 2,3,3-Trimethyl-1-(4-sulfobutyl)indolium, inner salt, >=98.0% (HPLC)

Isomers (same molecular formula)

ethyl 2-[2-(diethylcarbamoylsulfanyl)phenyl]acetate C₁₅H₂₁NO₃S

tert-butyl 4-(thiophene-2-carbonyl)piperidine-1-carboxylate C₁₅H₂₁NO₃S

10-(4-methylphenyl)sulfonyl-1-oxa-10-azaspiro[4.5]decane C₁₅H₂₁NO₃S

1-(4-methylphenyl)sulfonyl-6-oxa-1-azaspiro[4.5]decane C₁₅H₂₁NO₃S

ethyl 2-[2-(diethylcarbamothioyloxy)phenyl]acetate C₁₅H₂₁NO₃S

3-acetyl-N-cycloheptylbenzenesulfonamide C₁₅H₂₁NO₃S

tert-butyl 3-hydroxy-3-(2-methylsulfanylphenyl)azetidine-1-carboxylate C₁₅H₂₁NO₃S