2,4,6-Trimethoxybenzenethiol

Name: 2,4,6-Trimethoxybenzenethiol
Brand: ChemScene
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CAS No. 77189-99-2
Cat. No. CS-0187886
Molecule weight200.25
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 77189-99-2

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General Information

CAS No. 77189-99-2
Cat. No. CS-0187886
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₂O₃S
Molecular Weight 200.25
Synonym(s) 2,4,6-TriMethoxy-benzenethiol
SMILES COC1=CC(=C(C(=C1)OC)S)OC

Description

2,4,6-Trimethoxybenzenethiol features a benzene ring substituted with three methoxy groups and a thiol moiety, delivering enhanced solubility and stability. The electron-donating methoxy groups increase the nucleophilicity of the thiol, enabling efficient coupling in synthetic transformations. This bench-stable reagent integrates readily into sulfur-containing compound syntheses.

Application

2,4,6-Trimethoxybenzenethiol serves as a versatile building block in synthetic organic chemistry, offering enhanced solubility and stability compared to unsubstituted thiophenols. Its three methoxy groups provide strong electron-donating effects, facilitating nucleophilic substitution reactions and enabling efficient coupling with electrophilic partners. The molecule functions effectively in the construction of heterocyclic scaffolds and serves as a key intermediate in the synthesis of functionalized aromatic systems for pharmaceutical and agrochemical applications.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 27.69
LogP 2.0011
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,4,6-Trimethoxybenzenethiol

CAS No. 77189-99-2

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