Description

3-Thiocresol (CAS No. 108-40-7), also known as 3-methylbenzenethiol, is a high-purity aromatic thiol compound with the molecular formula C₇H₈S. This versatile organic sulfur compound is widely utilized in chemical synthesis, pharmaceutical research, and material science applications. As a meta-substituted toluenethiol, it offers unique reactivity in nucleophilic substitution reactions and serves as a valuable building block for heterocyclic compounds, ligands, and functionalized materials.

Our 3-Thiocresol is rigorously tested to ensure exceptional quality, with purity levels suitable for demanding research applications. The compound’s distinct thiol group provides excellent opportunities for metal coordination, polymer modification, and surface functionalization. Researchers will appreciate its consistent performance in synthetic protocols, including thiol-ene click chemistry and catalytic transformations.

Available in various packaging options to suit laboratory needs, this product is handled and shipped with strict adherence to safety protocols. Technical specifications include detailed analytical data (GC, NMR) and comprehensive safety information in compliance with global chemical regulations.

Properties

• CAS Number: 108-40-7
• Complexity: 70.8
• IUPAC Name: 3-methylbenzenethiol
• InChI: InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
• InChI Key: WRXOZRLZDJAYDR-UHFFFAOYSA-N
• Exact Mass: 124.03467143
• Molecular Formula: C7H8S
• Molecular Weight: 124.21
• SMILES: CC1=CC(=CC=C1)S
• Topological: 1
• Monoisotopic Mass: 124.03467143
• Physical Description: Liquid; Liquid with a stench;
• Color/Form: Liquid
• Boiling Point: 195 °C
• Melting Point: Below -20 °C
• Flash Point: 73 °C
• Solubility: Insol in water; sol in alcohol, ether
• Density: 1.044 @ 20 °C/4 °C
• Vapor Pressure: 0.8 [mmHg]
• Odor Threshold: Odor detection in air= 1.0X10-4 mg/l chemically pure.
• Refractive Index: Index of refraction 1.572 °C/4 °C
• Dissociation Constants: pKa= 6.66 @ 25 °C
• Synonyms: 3-Methylbenzenethiol, m-Thiocresol, 108-40-7, 3-Methylthiophenol, m-Toluenethiol, 3-THIOCRESOL, Benzenethiol, 3-methyl-, m-Methylbenzenethiol, m-Methylthiophenol, m-Mercaptotoluene, 3-Mercaptotoluene, m-Tolylmercaptan, Toluene-3-thiol, m-tolylthiol, Toluene, 3-mercapto-, USAF EK-2680, m-Tolyl Mercaptan, NSC 81219, HSDB 2023, EINECS 203-578-4, BRN 1851959, 0TK859NX9S, NSC-81219, M-THIOCRESOL [MI], 3-THIOCRESOL [HSDB], (3-METHYLPHENYL)THIOL, 3-METHYLPHENYL MERCAPTAN, DTXSID1059361, mThiocresol, mToluenethiol, mTolylmercaptan, mMercaptotoluene, Toluene3thiol, mMethylthiophenol, 3Methylthiophenol, mMethylbenzenethiol, 3Methylbenzenethiol, Toluene, 3mercapto, Benzenethiol, 3methyl, DTXCID2033102, inchi=1/c7h8s/c1-6-3-2-4-7(8)5-6/h2-5,8h,1h, 3-methylbenzene-1-thiol, 3-methyl-benzenethiol, 3-methyl thiophenol, UNII-0TK859NX9S, thio-m-cresol, Thio-m-kresol, NSC81219, 3-methyl-thiophenol, MFCD00004843, 3-Methylbenzenethiol, 95%, SCHEMBL186240, SCHEMBL782515, SCHEMBL972093, SCHEMBL6980889, SCHEMBL11403679, SCHEMBL28803250, CCG-40424, CK1158, AKOS005206748, PS-5445, NS00023500, T0289, EN300-53028, Q27237236, M3T

Application

3-Thiocresol serves as a key intermediate in pharmaceutical synthesis, particularly for sulfur-containing drug molecules and bioactive compounds. In materials science, it functions as a modifier for metal surfaces and nanoparticles through thiol-metal interactions. The compound also finds use as a precursor for synthesizing specialized ligands in coordination chemistry and catalysis research.

Safety and Hazards

GHS Hazard Statements

• H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (92%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (12%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (78%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (12%)
• Acute Tox. 4 (12%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (92%)
• Acute Tox. 4 (12%)
• STOT SE 3 (98%)
• Aquatic Acute 1 (78%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.