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· · COA & SDS available for every product · Same-day shipping on in-stock items Pentachlorothiophenol - ≥95% , CAS No.133-49-3
Synonyms
EINECS 205-107-8 | MFCD00059146 | Pentachlorothiophenol, analytical standard | Q-201540 | A806624 | HSDB 6124 | PENTACHLOROTHIOPHENOL [HSDB] | Pentachlorobenzenethiol | Pentachloro-benzenethiol | 92A1Z48VJB | pentachlorobenzene-1-thiol | AKOS005463160 | N
Storage
Room temperature,Argon charged
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Why this grade ≥95% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
EINECS 205-107-8 | MFCD00059146 | Pentachlorothiophenol, analytical standard | Q-201540 | A806624 | HSDB 6124 | PENTACHLOROTHIOPHENOL [HSDB] | Pentachlorobenzenethiol | Pentachloro-benzenethiol | 92A1Z48VJB | pentachlorobenzene-1-thiol | AKOS005463160 | N
Specifications & Purity
≥95%
Storage
Room temperature,Argon charged
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528769810
Canonical Smiles
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S
IUPAC Name
2,3,4,5,6-pentachlorobenzenethiol
InChIKey
LLMLGZUZTFMXSA-UHFFFAOYSA-N
INCHI
1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Isomeric SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1108638&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 Benzenoids Class Thiophenols Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thiophenols Alternative Parents Chlorobenzenes Aryl chlorides Thiols Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Thiophenol - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. 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 Melt Point(°C) 223-227°C Molecular Weight 282.400 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 281.821 Da Monoisotopic Mass 279.824 Da Topological Polar Surface Area 1.000 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 150.000 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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