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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Chlorothioanisole - ≥98% , CAS No.123-09-1
Synonyms
1-chloro-4-methylsulfanylbenzene | PS-4889 | UNII-031E43FWKK | MFCD00013643 | Tox21_202358 | 1-Chloro-4-(methylsulfanyl)benzene | NCGC00164205-02 | 1-methylthio-4-chlorobenzene | Methyl p-chlorophenyl sulfide | P-(METHYLTHIO)CHLOROBENZENE | Q27231568 | Su
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature 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-chloro-4-methylsulfanylbenzene | PS-4889 | UNII-031E43FWKK | MFCD00013643 | Tox21_202358 | 1-Chloro-4-(methylsulfanyl)benzene | NCGC00164205-02 | 1-methylthio-4-chlorobenzene | Methyl p-chlorophenyl sulfide | P-(METHYLTHIO)CHLOROBENZENE | Q27231568 | Su
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504753435 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504753435 Canonical Smiles CSC1=CC=C(C=C1)Cl IUPAC Name 1-chloro-4-methylsulfanylbenzene InChIKey KIQQUVJOLVCZKG-UHFFFAOYSA-N INCHI 1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 Isomeric SMILES CSC1=CC=C(C=C1)Cl WGK Germany 3 RTECS WQ3840000 Molecular Weight 158.65 Reaxy-Rn 2041509 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041509&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 Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Aryl thioethers Alternative Parents Thiophenol ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. 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 Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.598 Flash Point(°F) 194°F Flash Point(°C) 90 °C Boil Point(°C) 168-169°C Molecular Weight 158.650 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 157.996 Da Monoisotopic Mass 157.996 Da Topological Polar Surface Area 25.300 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 77.000 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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