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Screening compounds

Coppersensor 1

CAS 874748-20-6Formula C30H50BF2N3S4Molar mass 629.83 g/mol
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Coppersensor 1 chemical structure, C30H50BF2N3S4, CAS 874748-20-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
874748-20-6
Formula
C30H50BF2N3S4
Molar mass
629.83 g/mol
HS code
293399
Category
Screening compounds

What is Coppersensor 1?

Plain description, key identifiers and synonyms

Coppersensor 1 is a chemical substance with the molecular formula C30H50BF2N3S4 and a molar mass of 629.83 g/mol. Its CAS registry number is 874748-20-6. The IUPAC name is N-[(5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)methyl]-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)methyl]-2-(2-ethylsulfanylethylsulfanyl)-N-[2-(2-ethylsulfanylethylsulfanyl)ethyl]ethanamine
CAS number
874748-20-6
Molecular formula
C30H50BF2N3S4
InChIKey
YPWFLOFNPLJPBT-UHFFFAOYSA-N
InChI
InChI=1S/C30H50BF2N3S4/c1-9-26-22(5)29-28(21-34(13-15-39-19-17-37-11-3)14-16-40-20-18-38-12-4)30-23(6)27(10-2)25(8)36(30)31(32,33)35(29)24(26)7/h9-21H2,1-8H3
SMILES (canonical and isomeric)
[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CC)C)CN(CCSCCSCC)CCSCCSCC)C)CC)C)(F)F

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
629.83 g/molcalc.
Exact mass
629.2949 Dacalc.
LogP (octanol/water)
8.1calc.
Topological polar surface area
11.18 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
18calc.
Heavy atoms
40calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, [BH2-]1n2cccc2C=C2C=CC=[N+]12

[BH2-]1n2cccc2C=C2C=CC=[N+]12

3 rings, 12 atoms.

68 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.

Coppersensor 1 suppliers

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Coppersensor 1 price

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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 Coppersensor 1 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 Coppersensor 1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Coppersensor 1, based on the data on this page

What is Coppersensor 1?

Coppersensor 1 is a chemical substance with the molecular formula C30H50BF2N3S4 and a molar mass of 629.83 g/mol. Its CAS registry number is 874748-20-6.

What is the CAS number of Coppersensor 1?

The CAS registry number of Coppersensor 1 is 874748-20-6.

What is the molecular formula and weight of Coppersensor 1?

The molecular formula of Coppersensor 1 is C30H50BF2N3S4 and its molar mass is 629.83 g/mol.

What is Coppersensor 1 used for?

Known uses and roles of Coppersensor 1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Coppersensor 1 hazardous?

No GHS hazard classification for Coppersensor 1 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 Coppersensor 1?

Coppersensor 1 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 Coppersensor 1?

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What is the price of Coppersensor 1?

Suppliers quote Coppersensor 1 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 Coppersensor 1

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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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