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CS-W001157 4
Total: USD 88.00

(4-Nitrophenyl)methanethiol

  • CAS No. 26798-33-4

  • Cat. No. CS-0529673
  • Purity≥95%
  • MDL No.None

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

(4-Nitrophenyl)methanethiol|CS-0529673

Structure of 26798-33-4

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General Information

  • CAS No. 26798-33-4
  • Cat. No. CS-0529673
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₂S
  • Molecular Weight 169.20
  • Synonym(s) 4-Nitrobenzyl thiol
  • SMILES SCC1=CC=C([N+]([O-])=O)C=C1

Description

(4-Nitrophenyl)methanethiol features a nitro-substituted phenyl ring linked to a thiol group, combining strong electron-withdrawing character with reactive sulfur functionality. This structure enables efficient conjugation in bioconjugation workflows and facilitates the synthesis of thioether-linked compounds under mild conditions. The molecule exhibits enhanced solubility in organic solvents and stability during storage.

Application

(4-Nitrophenyl)methanethiol serves as a versatile building block for thioether synthesis, enabling efficient conjugation with electrophiles under mild conditions. Its nitro-activated arylthiol functionality offers enhanced reactivity in nucleophilic substitution and metal-catalyzed coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for applications in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335-H410
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P391-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.0246
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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