Description

2-Thiocresol (CAS No. 137-06-4) is a high-purity organic sulfur compound with the molecular formula C₇H₈S, also known as 2-methylbenzenethiol. This aromatic thiol is characterized by its distinctive sulfur-containing functional group attached to a methyl-substituted benzene ring. It is a colorless to pale yellow liquid with a strong, unpleasant odor typical of thiols. 2-Thiocresol is widely utilized in organic synthesis, coordination chemistry, and as a precursor for pharmaceuticals and agrochemicals. Our product is rigorously tested to ensure superior quality, with purity levels suitable for research and industrial applications. Proper handling is essential due to its reactive thiol group and potential volatility.

Properties

• CAS Number: 137-06-4
• Complexity: 70.8
• IUPAC Name: 2-methylbenzenethiol
• InChI: InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
• InChI Key: LXUNZSDDXMPKLP-UHFFFAOYSA-N
• Exact Mass: 124.03467143
• Molecular Formula: C7H8S
• Molecular Weight: 124.21
• SMILES: CC1=CC=CC=C1S
• Topological: 1
• Monoisotopic Mass: 124.03467143
• Physical Description: Colorless to pale yellow liquid; Very offensive odor; Liquid with a stench; mp = 10-12 deg C;
• Boiling Point: 195 °C
• Melting Point: 15 °C
• Flash Point: 64 °C
• Solubility: Sol in alcohol, ether; insol in water
• Density: 1.041 @ 20 °C/4 °C
• Vapor Pressure: 0.81 [mmHg]
• Odor Threshold: Odor Threshold Low: 0.002 [ppm]
• Refractive Index: Index of refraction: 1.570 @ 20 °C/4 °C
• Dissociation Constants: pKa= 6.64 @ 26 °C
• Synonyms: 2-Methylbenzenethiol, o-Toluenethiol, 137-06-4, o-Thiocresol, 2-Methylthiophenol, 2-THIOCRESOL, Benzenethiol, 2-methyl-, 2-Toluenethiol, o-Tolyl mercaptan, o-Mercaptotoluene, o-Methylthiophenol, o-Methylbenzenethiol, Toluene-2-thiol, 2-Methylphenylthiol, 2-Methylbenzene-1-thiol, Tolylthiol, o-, Tolylmercaptan, o-, Toluene, 2-mercapto-, USAF EK-2676, FEMA No. 3240, NSC 80655, HSDB 2022, 6FU2EGI4VS, EINECS 205-276-8, BRN 0774068, DTXSID8047135, NSC-80655, O-THIOCRESOL [MI], 2-THIOCRESOL [HSDB], DTXCID6027135, 2-METHYLTHIOPHENOL [FHFI], oThiocresol, oToluenethiol, oMercaptotoluene, 2Toluenethiol, oMethylthiophenol, oTolyl mercaptan, 2methylthiophenol, Tolylthiol, o, 2Methylphenylthiol, oMethylbenzenethiol, Tolylmercaptan, o, 2methylbenzenethiol, Toluene, 2mercapto, Benzenethiol, 2methyl, Thiocresol, 2-methyl-benzenethiol, Benzenethiol, methyl-, Toluenethiol, o-, UNII-6FU2EGI4VS, MFCD00004838, Toluenethiol, o-tolylthiol, tolyl thiol, thio-o-cresol, O-Tolylmercaptan, Methylbenzenethiol, 2-Mercaptotoluene, 2-Methylbenzothiol, NSC80655, 2-Mercapto-Toluene, 2-methyl thiophenol, 2-methyl benzenethiol, O-Toluenethiol, 8CI, WLN: SHR B1, 2-Methylbenzenethiol, 95%, SCHEMBL127631, SCHEMBL136291, SCHEMBL162167, SCHEMBL972189, SCHEMBL972683, SCHEMBL2341297, SCHEMBL3407498, SCHEMBL7471843, SCHEMBL8036168, SCHEMBL9850938, o-Toluenethiol, >=97%, FG, CHEMBL3182595, SCHEMBL10934663, FEMA 3240, CHEBI:178255, Tox21_302483, AKOS005207051, AT44941, PS-6300, NCGC00256758-01, CAS-137-06-4, DB-003296, NS00021630, T0288, EN300-50139, Q27264832

Application

2-Thiocresol serves as a versatile building block in organic synthesis, particularly in the preparation of sulfur-containing heterocycles and metal-thiolate complexes. It is employed as a ligand in coordination chemistry for stabilizing transition metal complexes. Additionally, this compound finds use in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its reactive thiol functionality. Researchers also utilize 2-Thiocresol in surface modification and polymer chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (88.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97%)
• Skin Corr. 1B (88.4%)

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