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Heterocyclic building blocks

EU 4865

Also known as 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-3-isoquinolinecarboxylic acid, 2-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

CAS 77832-22-5Formula C13H15NO3SMolar mass 265.33 g/mol
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EU 4865 chemical structure, C13H15NO3S, CAS 77832-22-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77832-22-5
Formula
C13H15NO3S
Molar mass
265.33 g/mol
HS code
293349
Category
Heterocyclic building blocks

What is EU 4865?

Plain description, key identifiers and synonyms

EU 4865 is a chemical substance with the molecular formula C13H15NO3S and a molar mass of 265.33 g/mol. Its CAS registry number is 77832-22-5. The IUPAC name is 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS number
77832-22-5 CAS number cross-checked
Molecular formula
C13H15NO3S
InChIKey
SBTLGJFPUKNYNC-UHFFFAOYSA-N
InChI
InChI=1S/C13H15NO3S/c15-12(5-6-18)14-8-10-4-2-1-3-9(10)7-11(14)13(16)17/h1-4,11,18H,5-8H2,(H,16,17)
SMILES (canonical and isomeric)
C1C(N(CC2=CC=CC=C21)C(=O)CCS)C(=O)O

Synonyms

  • 1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-3-isoquinolinecarboxylic acid
  • 2-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • 2-(3-Mercapto-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
  • 2-(3-Mercaptopropanoyl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(3-mercapto-1-oxopropyl)-

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
265.33 g/molcalc.
Exact mass
265.0773 Dacalc.
LogP (octanol/water)
1.34calc.
Topological polar surface area
57.61 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc2c(c1)CCNC2

c1ccc2c(c1)CCNC2

2 rings, 10 atoms, the 1,2,3,4-Tetrahydroisoquinoline ring system.

5,026 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.

EU 4865 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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EU 4865 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 EU 4865 is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

The HS code shown for EU 4865 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about EU 4865, based on the data on this page

What is EU 4865?

EU 4865 is a chemical substance with the molecular formula C13H15NO3S and a molar mass of 265.33 g/mol. Its CAS registry number is 77832-22-5. The IUPAC name is 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

What is the CAS number of EU 4865?

The CAS registry number of EU 4865 is 77832-22-5.

What is the molecular formula and weight of EU 4865?

The molecular formula of EU 4865 is C13H15NO3S and its molar mass is 265.33 g/mol.

What is EU 4865 used for?

Known uses and roles of EU 4865 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is EU 4865 hazardous?

No GHS hazard classification for EU 4865 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 EU 4865?

EU 4865 is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy EU 4865?

Post a free request on CompoundList and suppliers of EU 4865 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of EU 4865?

Suppliers quote EU 4865 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 EU 4865

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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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