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Heterocyclic building blocks

Sbb042435

Also known as 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

CAS 54136-26-4Formula C15H21NO3SMolar mass 295.40 g/mol
1 supplier listed
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Sbb042435 chemical structure, C15H21NO3S, CAS 54136-26-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54136-26-4
Formula
C15H21NO3S
Molar mass
295.40 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Sbb042435?

Plain description, key identifiers and synonyms

Sbb042435 is a chemical substance with the molecular formula C15H21NO3S and a molar mass of 295.40 g/mol. Its CAS registry number is 54136-26-4. The IUPAC name is 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate
CAS number
54136-26-4 CAS number cross-checked
Molecular formula
C15H21NO3S
MDL number
MFCD08166699
InChIKey
XTNXDHCAMPMVRG-UHFFFAOYSA-N
InChI
InChI=1S/C15H21NO3S/c1-12-15(2,3)13-8-4-5-9-14(13)16(12)10-6-7-11-20(17,18)19/h4-5,8-9H,6-7,10-11H2,1-3H3
SMILES (canonical and isomeric)
CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]

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
  • 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)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
295.40 g/molcalc.
Exact mass
295.1242 Dacalc.
LogP (octanol/water)
2.41calc.
Topological polar surface area
60.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=Nc2ccccc2C1

C1=Nc2ccccc2C1

2 rings, 9 atoms, the 3H-Indole ring system.

280 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Sbb042435 suppliers

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  • Chemodex Ltd.
    Switzerland, St. GallenUnclaimed profile
    Sbb042435Grade, purity and minimum order on request
    Price on request
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Where suppliers are based

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Sbb042435 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sbb042435 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Sbb042435 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb042435, based on the data on this page

What is Sbb042435?

Sbb042435 is a chemical substance with the molecular formula C15H21NO3S and a molar mass of 295.40 g/mol. Its CAS registry number is 54136-26-4. The IUPAC name is 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate.

What is the CAS number of Sbb042435?

The CAS registry number of Sbb042435 is 54136-26-4.

What is the molecular formula and weight of Sbb042435?

The molecular formula of Sbb042435 is C15H21NO3S and its molar mass is 295.40 g/mol.

What is Sbb042435 used for?

Known uses and roles of Sbb042435 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb042435 hazardous?

No GHS hazard classification for Sbb042435 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Sbb042435?

Sbb042435 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sbb042435?

CompoundList lists 1 supplier of Sbb042435 in Switzerland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb042435?

Suppliers quote Sbb042435 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Sbb042435

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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