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Screening compounds

Orb1219639

Also known as diazanium, (2E)-3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate

Formula C18H24N6O6S4Molar mass 548.69 g/mol
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Orb1219639 chemical structure, C18H24N6O6S4
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C18H24N6O6S4
Molar mass
548.69 g/mol
HS code
293420
Category
Screening compounds

What is Orb1219639?

Plain description, key identifiers and synonyms

Orb1219639 is a chemical substance with the molecular formula C18H24N6O6S4 and a molar mass of 548.69 g/mol. The IUPAC name is diazanium, (2E)-3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diazanium, (2E)-3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate
Molecular formula
C18H24N6O6S4
InChIKey
OHDRQQURAXLVGJ-HLVWOLMTSA-N
InChI
InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17+,20-18+;;
Canonical SMILES
CCn1c(=NN=c2sc3cc(S(=O)(=O)[O-])ccc3n2CC)sc2cc(S(=O)(=O)[O-])ccc21.[NH4+].[NH4+]
Isomeric SMILES
CCN1/C(=N\N=C/2\SC3=C(N2CC)C=CC(=C3)S(=O)(=O)[O-])/SC4=C1C=CC(=C4)S(=O)(=O)[O-].[NH4+].[NH4+]

Synonyms

  • diazanium, (2E)-3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate

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
548.69 g/molcalc.
Exact mass
548.064 Dacalc.
LogP (octanol/water)
2.74calc.
Topological polar surface area
222 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2sc(=NN=c3[nH]c4ccccc4s3)[nH]c2c1

c1ccc2sc(=NN=c3[nH]c4ccccc4s3)[nH]c2c1

4 rings, 20 atoms.

17 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.

Orb1219639 suppliers

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Orb1219639 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 Orb1219639 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 Orb1219639 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1219639, based on the data on this page

What is Orb1219639?

Orb1219639 is a chemical substance with the molecular formula C18H24N6O6S4 and a molar mass of 548.69 g/mol. The IUPAC name is diazanium, (2E)-3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate.

What is the molecular formula and weight of Orb1219639?

The molecular formula of Orb1219639 is C18H24N6O6S4 and its molar mass is 548.69 g/mol.

What is Orb1219639 used for?

Known uses and roles of Orb1219639 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1219639 hazardous?

No GHS hazard classification for Orb1219639 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 Orb1219639?

Orb1219639 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 Orb1219639?

Post a free request on CompoundList and suppliers of Orb1219639 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1219639?

Suppliers quote Orb1219639 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 Orb1219639

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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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