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Aromatic building blocks

Orb1689719

Also known as US12178791, Compound 1, (Z)-3-fluoro-4-(phenylsulfonyl)but-2- en-1-amine, (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine

CAS 2409963-50-2Formula C10H12FNO2SMolar mass 229.28 g/mol
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Orb1689719 chemical structure, C10H12FNO2S, CAS 2409963-50-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2409963-50-2
Formula
C10H12FNO2S
Molar mass
229.28 g/mol
HS code
293090
Category
Aromatic building blocks

What is Orb1689719?

Plain description, key identifiers and synonyms

Orb1689719 is a chemical substance with the molecular formula C10H12FNO2S and a molar mass of 229.28 g/mol. Its CAS registry number is 2409963-50-2. The IUPAC name is (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine
CAS number
2409963-50-2
Molecular formula
C10H12FNO2S
InChIKey
HTUIHUIRTWMKFB-TWGQIWQCSA-N
InChI
InChI=1S/C10H12FNO2S/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
Canonical SMILES
NCC=C(F)CS(=O)(=O)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)S(=O)(=O)C/C(=C/CN)/F

Synonyms

  • US12178791, Compound 1
  • (Z)-3-fluoro-4-(phenylsulfonyl)but-2- en-1-amine
  • (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine

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
229.28 g/molcalc.
Exact mass
229.0573 Dacalc.
LogP (octanol/water)
1.27calc.
Topological polar surface area
60.16 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.2calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Orb1689719 suppliers

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Orb1689719 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 Orb1689719 is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1689719 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1689719, based on the data on this page

What is Orb1689719?

Orb1689719 is a chemical substance with the molecular formula C10H12FNO2S and a molar mass of 229.28 g/mol. Its CAS registry number is 2409963-50-2. The IUPAC name is (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine.

What is the CAS number of Orb1689719?

The CAS registry number of Orb1689719 is 2409963-50-2.

What is the molecular formula and weight of Orb1689719?

The molecular formula of Orb1689719 is C10H12FNO2S and its molar mass is 229.28 g/mol.

What is Orb1689719 used for?

Known uses and roles of Orb1689719 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1689719 hazardous?

No GHS hazard classification for Orb1689719 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 Orb1689719?

Orb1689719 is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1689719?

Post a free request on CompoundList and suppliers of Orb1689719 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1689719?

Suppliers quote Orb1689719 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 Orb1689719

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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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