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· · COA & SDS available for every product · Same-day shipping on in-stock items p-Thiocresol - ≥98% , CAS No.106-45-6
Synonyms
P-THIOCRESOL [MI] | AI3-09056 | NSC2227 | NSC-2227 | (4-methyl)thiophenol | Toluene, 4-mercapto- | 4-Methylthiophenol | 4-methyl-thiophenol | 4-methylthio-phenol | NSC 2227 | STR00880 | 4-methyl-1-thiophenol | InChI=1/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H |
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
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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,Argon charged Ships FedEx DG Service 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 23 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
P-THIOCRESOL [MI] | AI3-09056 | NSC2227 | NSC-2227 | (4-methyl)thiophenol | Toluene, 4-mercapto- | 4-Methylthiophenol | 4-methyl-thiophenol | 4-methylthio-phenol | NSC 2227 | STR00880 | 4-methyl-1-thiophenol | InChI=1/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H |
Specifications & Purity
≥98%
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid 504751467 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751467 Canonical Smiles CC1=CC=C(C=C1)S IUPAC Name 4-methylbenzenethiol InChIKey WLHCBQAPPJAULW-UHFFFAOYSA-N INCHI 1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 Isomeric SMILES CC1=CC=C(C=C1)S WGK Germany 3 RTECS XT8925000 UN Number 2811 Molecular Weight 124.20 Beilstein 605761 Reaxy-Rn 605761
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 Toluenes Thiols Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Thiophenol - Toluene - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur 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 Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in alcohol. Insoluble in water. Sensitivity Air Sensitive；Hygroscopic Flash Point(°F) 154.4 °F Flash Point(°C) 68℃ Boil Point(°C) 195°C Melt Point(°C) 40-44°C Molecular Weight 124.210 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 124.035 Da Monoisotopic Mass 124.035 Da Topological Polar Surface Area 1.000 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 62.800 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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