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6-Methyl-1,3-benzoxazole-2-thiol

  • CAS No. 23417-29-0

  • Cat. No. CS-0126605
  • Purity≥98%
  • MDL No.MFCD00087075

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

6-Methyl-1,3-benzoxazole-2-thiol|CS-0126605

Structure of 23417-29-0

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General Information

  • CAS No. 23417-29-0
  • Cat. No. CS-0126605
  • Purity ≥98%
  • MDL No. MFCD00087075
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NOS
  • Molecular Weight 165.21
  • Synonym(s) 6-Methyl-1,3-benzoxazole-2(3H)-thione
  • SMILES SC1=NC2=CC=C(C)C=C2O1

Description

6-Methyl-1,3-benzoxazole-2-thiol features a fused heterocyclic core with a thiol group at the 2-position and a methyl substituent at the 6-position. This configuration imparts enhanced solubility and reactivity in nucleophilic substitution reactions. The compound serves as a key scaffold for synthesizing bioactive molecules and functional materials.

Application

6-Methyl-1,3-benzoxazole-2-thiol serves as a versatile scaffold for heterocyclic synthesis, enabling efficient access to functionalized benzoxazole derivatives. Its thiol group facilitates nucleophilic substitution and metal-catalyzed coupling reactions, while the methyl substituent enhances stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard purification techniques, making it a practical building block for medicinal chemistry and materials science 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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.42492
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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