3-Methylbenzenethiol (C7H8S)

Looking for routes to 3-Methylbenzenethiol? 3-Methylbenzenethiol presents a C7 framework, aromatic rings. Use the planner with prefilled SMILES, or copy Cc1cccc(S)c1 (CAS 108-40-7).

Target: 3-Methylbenzenethiol
CAS: 108-40-7
Formula: C7H8S
Approx. MW: 124.20
SMILES: Cc1cccc(S)c1
PubChem CID: 7930
Approx. carbons: C7

3-Methylbenzenethiol structure

Properties

IUPAC name: 3-methylbenzenethiol
Common names: 3-Methylbenzenethiol; m-Thiocresol; 108-40-7; 3-Methylthiophenol; m-Toluenethiol; 3-THIOCRESOL; Benzenethiol, 3-methyl-; m-Methylbenzenethiol; m-Mercaptotoluene; m-Methylthiophenol
Molecular weight: 124.21
Exact mass: 124.03
InChIKey: WRXOZRLZDJAYDR-UHFFFAOYSA-N
Melting point: Below -20 °C
Boiling point: 195 °C
Density: 1.044 @ 20 °C/4 °C

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3-Methylbenzenethiol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Methylbenzenethiol?

3-Methylbenzenethiol has molecular formula C7H8S. Molecular weight about 124.20 g·mol⁻¹.

What is the CAS number of 3-Methylbenzenethiol?

The CAS Registry Number for 3-Methylbenzenethiol is 108-40-7.

Run AI retrosynthesis for 3-Methylbenzenethiol Target catalog AI tools overview

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Related targets

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.