Description

3,5-Dimethylbenzenethiol (CAS No. 38360-81-5) is a high-purity aromatic thiol compound with the molecular formula C₈H₁₀S. This organosulfur reagent features a benzene ring substituted with two methyl groups at the 3 and 5 positions and a thiol (-SH) functional group, making it a valuable building block for organic synthesis and material science applications. With a molecular weight of 138.23 g/mol, it is commonly utilized as a precursor in the production of pharmaceuticals, agrochemicals, and specialty polymers. The compound is supplied as a clear to pale yellow liquid with a characteristic thiol odor, and it should be stored under inert conditions to prevent oxidation. Ideal for researchers requiring precise functionalization of aromatic systems or sulfur-containing molecular architectures.

Properties

• CAS Number: 38360-81-5
• Complexity: 80.6
• IUPAC Name: 3,5-dimethylbenzenethiol
• InChI: InChI=1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
• InChI Key: CESBAYSBPMVAEI-UHFFFAOYSA-N
• Exact Mass: 138.05032149
• Molecular Formula: C8H10S
• Molecular Weight: 138.23
• SMILES: CC1=CC(=CC(=C1)S)C
• Topological: 1
• Monoisotopic Mass: 138.05032149
• Synonyms: 3,5-Dimethylthiophenol, 3,5-Dimethylbenzenethiol, 38360-81-5, Benzenethiol, 3,5-dimethyl-, 3,5-Xylenethiol, 3,5-dimethylbenzene-1-thiol, MFCD00040226, U18S77737Q, m-Xylene-5-thiol, 5-Mercapto-m-xylene, UNII-U18S77737Q, EINECS 253-901-8, 3,5dimethylthiophenol, 3,5-dimethyl-thiophenol, UNII-FF8DL45MWR, FF8DL45MWR, 3,5-Dimethylbenzenethiol #, SCHEMBL1145629, SCHEMBL1145630, DTXSID3068093, SCHEMBL27921932, 3,5-Dimethylbenzenethiol, 90%, 3,5-Dimethylbenzenethiol, 96%, EINECS 247-095-7, SBB086033, AKOS006222980, PS-3010, DB-022106, CS-0153247, D4286, NS00030372, EN300-673715, F20943, 3,5-Dimethyl thiophenol;3,5-dimethylbenzenethiol, Q27290551

Application

3,5-Dimethylbenzenethiol is widely employed as a key intermediate in the synthesis of sulfur-containing heterocycles and ligands for transition metal catalysis. It serves as a versatile precursor in pharmaceutical research for the development of bioactive molecules and drug candidates. The compound is also utilized in materials science for the modification of polymer backbones and the preparation of self-assembled monolayers (SAMs) on metal surfaces.

Safety and Hazards

GHS Hazard Statements

• H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.9%)
• Acute Tox. 4 (12.2%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (98%)
• STOT SE 3 (93.9%)

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