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CS-W001157 4
Total: USD 88.00

2,5-Dimethylbenzenethiol

  • CAS No. 4001-61-0

  • Cat. No. CS-W014361
  • Purity≥98%
  • MDL No.MFCD00010020

*For research and further manufacturing use only, not for direct human use.

2,5-Dimethylbenzenethiol|CS-W014361

Structure of 4001-61-0

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General Information

  • CAS No. 4001-61-0
  • Cat. No. CS-W014361
  • Purity ≥98%
  • MDL No. MFCD00010020
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀S
  • Molecular Weight None
  • Synonym(s) p-Xylenethiol
  • SMILES SC1=CC(C)=CC=C1C

Description

2,5-Dimethylbenzenethiol was used in the synthesis of poly(2-dodecanoylsulfanyl-p-phenylenevinylene). It was also used in the synthesis of 1,1,2-trichloro-4-(2,5-dimethylphenylthio)-1-buten-3-yne; 1,1,2,4-tetrachloro-4-(2,5-dimethylphenylthio)-1,3-butadiene and 1,1,2-trichloro-4,4-bis(2,5-dimethylphenylthio)-1,3-butadiene.

Application

2,5-Dimethylbenzenethiol serves as a versatile building block in synthetic organic chemistry, offering enhanced steric shielding and electronic modulation due to its ortho-methyl substituents. Its thiol functionality enables reliable conjugate addition, gold-catalyzed cyclization, and metal-thiolate complexation, with improved bench stability compared to unsubstituted analogs. The molecule functions effectively in the construction of heterocyclic scaffolds and bioactive intermediates, demonstrating robust functional group tolerance and ease of purification in standard laboratory workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: 3334
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.59214
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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