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CS-W001157 4
Total: USD 88.00

1,4-Thiazepane 1,1-dioxide hydrochloride

  • CAS No. 595597-04-9

  • Cat. No. CS-0467727
  • Molecule weight185.67
  • Purity≥98%
  • MDL No.MFCD18380761

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

1,4-Thiazepane 1,1-dioxide hydrochloride|CS-0467727

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General Information

  • CAS No. 595597-04-9
  • Cat. No. CS-0467727
  • Purity ≥98%
  • MDL No. MFCD18380761
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₂ClNO₂S
  • Molecular Weight 185.67
  • Synonym(s) None
  • SMILES O=S1(CCNCCC1)=O.Cl

Description

1,4-Thiazepane 1,1-dioxide hydrochloride delivers a rigid, electron-deficient heterocyclic scaffold with enhanced solubility and stability under standard conditions. This bench-stable salt features a protonated nitrogen that facilitates efficient coupling in synthetic transformations. Ideal for medicinal chemistry applications requiring polar, conformationally constrained scaffolds.

Application

1,4-Thiazepane 1,1-dioxide hydrochloride serves as a stable, bench-ready sulfonamide-containing heterocyclic building block, enabling efficient incorporation of nitrogen and sulfur functionalities into complex molecular architectures. Its well-defined reactivity facilitates downstream functionalization in medicinal chemistry and process development, particularly for modulating solubility and metabolic stability in API candidates.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   -0.1837
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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