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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,2-Butanedithiol - ≥97%(GC) , CAS No.16128-68-0
Synonyms
1,2-Dithiolbutane | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1,2-ethanedithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butane-1,2-dithiol | CHEBI:179051 | FEMA 3528 | 1,2-Butanedithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1,2
Storage
Room temperature,Argon charged
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Why this grade ≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged Ships Normal 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.
Specifications Synonyms
1, 2-Dithiolbutane | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1, 2-ethanedithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butane-1, 2-dithiol | CHEBI:179051 | FEMA 3528 | 1, 2-Butanedithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1, 2
Specifications & Purity
≥97%(GC)
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles CCC(CS)S IUPAC Name butane-1,2-dithiol InChIKey LFTMJBWNOFFSRW-UHFFFAOYSA-N INCHI 1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 Isomeric SMILES CCC(CS)S Molecular Weight 122.24 Reaxy-Rn 1731392 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731392&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 Organosulfur compounds Class Thiols Subclass Alkylthiols Intermediate Tree Nodes Not available Direct Parent Alkylthiols Alternative Parents Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. 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 Air Sensitive Refractive Index 1.52 Flash Point(°C) 61 °C Boil Point(°C) 77°C/28mmHg(lit.) Molecular Weight 122.300 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 122.022 Da Monoisotopic Mass 122.022 Da Topological Polar Surface Area 2.000 Ų Heavy Atom Count 6 Formal Charge 0 Complexity 28.700 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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