6-Acetylthiohexanoic acid - ≥97% , CAS No.80441-57-2

CAS: 80441-57-2 Cat. No.: A469696 Summenformel: CH3COS(CH2)5CO2H Molekulargewicht: 190.26 EG-Nummer: 626-531-3
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GRADE & PURITY ≥97%
Synonyms
6-Acetylthiohexanoic acid | SCHEMBL3330553 | Hexanoic acid, 6-(acetylthio)- | 6-Acetylthiohexanoic acid, 97% | 6-(acetylthio)hexanoic acid | PIFIISOIFYMVLS-UHFFFAOYSA-N
Storage
Room temperature
★
Size
Deutschland (EU)
USA*
Price
Qty
5g
A469696-5g
Auf Bestellung · 8–12 Wochen

470,23€

550,06€
Speichern 79,83 € (14.51%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Description

6-Acetylthiohexanoic acid (6-ATH), also known as 6-(acetylsulfanyl)hexanoic acid, is a hexanoic acid derivative that contains thioacetate group.6-Acetylthiohexanoic acid has been used in a study to estimate its minimal inhibitory concentration (MIC) by microdilution assay. It may be used as a precursor for generating poly-3-hydroxy-6-acetylthiohexanoateco-4-acetylthiobutanoate (PHACOS).

Specifications

Synonyme
6-Acetylthiohexanoic acid | SCHEMBL3330553 | Hexanoic acid, 6-(acetylthio)- | 6-Acetylthiohexanoic acid, 97% | 6-(acetylthio)hexanoic acid | PIFIISOIFYMVLS-UHFFFAOYSA-N
Spezifikationen & Reinheit
≥97%
Storage
Room temperature
Reinheit
≥97%
Namen und Kennungen
Isomere SMILES CC(=O)SCCCCCC(=O)O
WGK Deutschland 3
Molekulargewicht 190.26
Reaxy-Rn 5499158
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5499158&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht190.260 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass190.066 Da
Monoisotopic Mass190.066 Da
Topological Polar Surface Area79.700 Ų
Heavy Atom Count12
Formal Charge0
Complexity156.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?
The CAS Number is 80441-57-2, the molecular formula is CH3COS(CH2)5CO2H, and the molecular weight is 190.26 g/mol.
What is the purity of this product?
This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.

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