4,5-Dichloro-1,2,3-dithiazol-1-ium chloride

Name: 4,5-Dichloro-1,2,3-dithiazol-1-ium chloride
Brand: ChemScene
Availability: InStock
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CAS No. 75318-43-3
Cat. No. CS-0187866
Molecule weightNone
Purity≥95%
MDL No.MFCD03426194

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Type	HazMat Fee
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4,5-Dichloro-1,2,3-dithiazol-1-ium chloride|CS-0187866

Structure of 75318-43-3

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General Information

CAS No. 75318-43-3
Cat. No. CS-0187866
Purity ≥95%
MDL No. MFCD03426194
Storage 4°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂Cl₃NS₂
Molecular Weight None
Synonym(s) DICHLORO-1,2,3-DITHIAZOL-1-YLIUM CHLORIDE
SMILES C1(=C(Cl)S[S+]=N1)Cl.[Cl-]

Description

4,5-Dichloro-1,2,3-dithiazol-1-ium chloride is a highly reactive electrophilic reagent featuring a charged dithiazole core with two chlorine substituents. This structure enables efficient halogenation and sulfur-transfer processes in synthetic transformations. The compound exhibits enhanced stability under anhydrous conditions and serves as a selective source of Cl⁺ equivalents in organic synthesis.

Application

4,5-Dichloro-1,2,3-dithiazol-1-ium chloride serves as a versatile electrophilic sulfur-transfer reagent, enabling efficient sulfuration of nucleophiles under mild conditions. Its bench-stable crystalline form facilitates handling and reproducible reaction setup. The molecule functions as a key building block in the synthesis of thiazole-containing heterocycles and sulfur-functionalized intermediates, with demonstrated tolerance for diverse functional groups in standard organic workflows.

Synthesis

Route1
- 107-14-2
- ~82%
- In-stock
  
  75318-43-3
References
- SIRTRIS PHARMACEUTICALS, INC. Patent: WO2009/14674 A1, 2009 ; Location in patent: Page/Page column 82 ; WO 2009/014674 A1
Route2
- 75-09-2
- 107-14-2
- ~86%
- In-stock
  
  75318-43-3
References
- Hedou, Damien; Guillon, Remi; Lecointe, Charlotte; Loge, Cedric; Chosson, Elizabeth; Besson, Thierry Tetrahedron, 2013 , vol. 69, # 15 p. 3182 - 3191
Route3
- 590-17-0
- ~61%
- In-stock
  
  75318-43-3
References
- Koutentis, Panayiotis A. Molecules, 2005 , vol. 10, # 2 p. 346 - 359

Safety Information

Download SDS

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

TPSA 12.89
LogP -0.2035
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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4,5-Dichloro-1,2,3-dithiazol-1-ium chloride

CAS No. 75318-43-3

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