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Screening compounds

AC1Nrhim

Also known as (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one

CAS 6262-80-2Formula C19H13ClN2O4SMolar mass 400.84 g/mol
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AC1Nrhim chemical structure, C19H13ClN2O4S, CAS 6262-80-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6262-80-2
Formula
C19H13ClN2O4S
Molar mass
400.84 g/mol
HS code
293499
Category
Screening compounds

What is AC1Nrhim?

Plain description, key identifiers and synonyms

AC1Nrhim is a chemical substance with the molecular formula C19H13ClN2O4S and a molar mass of 400.84 g/mol. Its CAS registry number is 6262-80-2. The IUPAC name is (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one
CAS number
6262-80-2 CAS number cross-checked
Molecular formula
C19H13ClN2O4S
InChIKey
QDOAPTXVJDBHEU-MKMNVTDBSA-N
InChI
InChI=1S/C19H13ClN2O4S/c1-10-14(18(23)22(21-10)13-5-3-4-12(20)9-13)6-11-7-15(25-2)17-16(8-11)27-19(24)26-17/h3-9H,1-2H3/b14-6+
Canonical SMILES
COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc2sc(=O)oc12
Isomeric SMILES
CC\1=NN(C(=O)/C1=C/C2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=CC=C4)Cl

Synonyms

  • (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
  • 2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
  • (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one
  • (4E)-1-(3-Chlorophenyl)-4-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
  • (4E)-2-(3-Chlorophenyl)-4-[(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

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
400.84 g/molcalc.
Exact mass
400.0285 Dacalc.
LogP (octanol/water)
4.32calc.
Topological polar surface area
72.11 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.11calc.
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, O=C1C(=Cc2ccc3oc(=O)sc3c2)C=NN1c1ccccc1

O=C1C(=Cc2ccc3oc(=O)sc3c2)C=NN1c1ccccc1

4 rings, 23 atoms.

No other chemical in our database has 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.

AC1Nrhim suppliers

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AC1Nrhim 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 AC1Nrhim is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for AC1Nrhim is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about AC1Nrhim, based on the data on this page

What is AC1Nrhim?

AC1Nrhim is a chemical substance with the molecular formula C19H13ClN2O4S and a molar mass of 400.84 g/mol. Its CAS registry number is 6262-80-2. The IUPAC name is (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one.

What is the CAS number of AC1Nrhim?

The CAS registry number of AC1Nrhim is 6262-80-2.

What is the molecular formula and weight of AC1Nrhim?

The molecular formula of AC1Nrhim is C19H13ClN2O4S and its molar mass is 400.84 g/mol.

What is AC1Nrhim used for?

Known uses and roles of AC1Nrhim include building blocks in research and laboratory and screening compounds in research and laboratory.

Is AC1Nrhim hazardous?

No GHS hazard classification for AC1Nrhim 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 AC1Nrhim?

AC1Nrhim is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy AC1Nrhim?

Post a free request on CompoundList and suppliers of AC1Nrhim will send you quotes. Your contact details stay private until you accept a quote.

What is the price of AC1Nrhim?

Suppliers quote AC1Nrhim 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

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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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