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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Chloropropyl thiolacetate - ≥97% , CAS No.13012-54-9
Synonyms
C5H9ClOS | S-(3-Chloropropyl) ethanethioate | Ethanethioic acid, S-(3-chloropropyl) ester | 3-Chloropropylthiol acetate | 1-[(3-chloropropyl)sulfanyl]ethan-1-one | 3-Chloropropyl thiolacetate | 3-CHLOROPROPYLTHIOACETATE | J-005750 | EN300-127603 | 3-Chlor
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Description
Mechanism of formation of trimethylene oxide from 3-chloropropyl thiolacetate has been investigated.
Specifications Synonyms
C5H9ClOS | S-(3-Chloropropyl) ethanethioate | Ethanethioic acid, S-(3-chloropropyl) ester | 3-Chloropropylthiol acetate | 1-[(3-chloropropyl)sulfanyl]ethan-1-one | 3-Chloropropyl thiolacetate | 3-CHLOROPROPYLTHIOACETATE | J-005750 | EN300-127603 | 3-Chlor
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(=O)SCCCCl IUPAC Name S-(3-chloropropyl) ethanethioate InChIKey IOLUCUQNAZTKMN-UHFFFAOYSA-N INCHI 1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3 Isomeric SMILES CC(=O)SCCCCl WGK Germany 3 Molecular Weight 152.64 Reaxy-Rn 1745347 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745347&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 Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Thiocarboxylic acids and derivatives Subclass Thioesters Intermediate Tree Nodes Not available Direct Parent Thioesters Alternative Parents Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity light & Moisture sensitive Flash Point(°F) 172.4 °F Flash Point(°C) 78 °C Molecular Weight 152.640 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 152.006 Da Monoisotopic Mass 152.006 Da Topological Polar Surface Area 42.400 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 74.800 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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