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Screening compounds

Orb3236865

CAS 2133002-45-4Formula C20H25N3O2SMolar mass 371.51 g/mol
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Orb3236865 chemical structure, C20H25N3O2S, CAS 2133002-45-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2133002-45-4
Formula
C20H25N3O2S
Molar mass
371.51 g/mol
HS code
293420
Category
Screening compounds

What is Orb3236865?

Plain description, key identifiers and synonyms

Orb3236865 is a chemical substance with the molecular formula C20H25N3O2S and a molar mass of 371.51 g/mol. Its CAS registry number is 2133002-45-4. The IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CAS number
2133002-45-4
Molecular formula
C20H25N3O2S
InChIKey
AWFDIUNJAMTJGE-UHFFFAOYSA-N
InChI
InChI=1S/C20H25N3O2S/c1-15-2-7-18-19(14-15)26-20(23-18)16-3-5-17(6-4-16)22-9-11-25-13-12-24-10-8-21/h2-7,14,22H,8-13,21H2,1H3
SMILES (canonical and isomeric)
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCOCCOCCN

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
371.51 g/molcalc.
Exact mass
371.1667 Dacalc.
LogP (octanol/water)
3.68calc.
Topological polar surface area
69.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
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, c1ccc(-c2nc3ccccc3s2)cc1

c1ccc(-c2nc3ccccc3s2)cc1

3 rings, 15 atoms, the 2-Phenylbenzothiazole ring system.

652 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.

Orb3236865 suppliers

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Orb3236865 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 Orb3236865 is traded under.

HS 2934.20Indicative HS code

Compounds containing in the structure a benzothiazole ring-system (whether or not…

World exports in 2024
$662M
+4.3% vs 2023, imports $630M
2019 to 2024
Top exporters
  1. China62.9%
  2. Belgium14.6%
  3. United States5.4%
Top importers
  1. India * partner reported18.5%
  2. United States18.1%
  3. Brazil6.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3236865 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236865, based on the data on this page

What is Orb3236865?

Orb3236865 is a chemical substance with the molecular formula C20H25N3O2S and a molar mass of 371.51 g/mol. Its CAS registry number is 2133002-45-4. The IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.

What is the CAS number of Orb3236865?

The CAS registry number of Orb3236865 is 2133002-45-4.

What is the molecular formula and weight of Orb3236865?

The molecular formula of Orb3236865 is C20H25N3O2S and its molar mass is 371.51 g/mol.

What is Orb3236865 used for?

Known uses and roles of Orb3236865 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236865 hazardous?

No GHS hazard classification for Orb3236865 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 Orb3236865?

Orb3236865 is usually classified under HS code 293420 (Compounds containing in the structure a benzothiazole ring-system (whether or not…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3236865?

Post a free request on CompoundList and suppliers of Orb3236865 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236865?

Suppliers quote Orb3236865 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 Orb3236865

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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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