Thiocarbonyldiimidazole

Name: Thiocarbonyldiimidazole
Brand: MedChemExpress
SKU: HY-Y0689
Rating: 4.5 (1 reviews)

Cat. No.: HY-Y0689 Purity: 99.74%: Data Sheet
COA

SDS
Handling Instructions
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Thiocarbonyldiimidazole is a synthetic chemical reagent that serves as a nitrogen-containing MOF ligand for synthetic applications. Thiocarbonyldiimidazole enables the preparation of thiocarbonyl imidazolides from alcohols, and is used in the Barton-McCombie deoxygenation reaction and natural product synthesis.

For research use only. We do not sell to patients.

Thiocarbonyldiimidazole Chemical Structure

CAS No. : 6160-65-2

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
1 g	In-stock	Estimated Time of Arrival: December 31
5 g	In-stock	Estimated Time of Arrival: December 31
10 g	In-stock	Estimated Time of Arrival: December 31
25 g	In-stock	Estimated Time of Arrival: December 31
50 g	In-stock	Estimated Time of Arrival: December 31
100 g	In-stock	Estimated Time of Arrival: December 31
500 g	In-stock	Estimated Time of Arrival: December 31
1 kg	In-stock	Estimated Time of Arrival: December 31

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

In Vitro

Thiocarbonyldiimidazole can bind to MOF via the S-C-N bond^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

178.21

Formula

C₇H₆N₄S

CAS No.

6160-65-2

Appearance

Solid

Color

Light yellow to brown

SMILES

S=C(N1C=NC=C1)N2C=NC=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (561.14 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.6114 mL	28.0568 mL	56.1136 mL
5 mM	1.1223 mL	5.6114 mL	11.2227 mL
10 mM	0.5611 mL	2.8057 mL	5.6114 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

In Vivo Dissolution Calculator

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Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 99.74%

Select Batch:

Data Sheet (274 KB) SDS (393 KB)

COA (252 KB) HNMR (116 KB) RP-HPLC (229 KB) MS (76 KB)

Handling Instructions (2659 KB)

References

[1]. Onyancha D, et al. Solvent-free reactions of N, N′-thiocarbonyldiimidazole with ferrocenylcarbinols[J]. Journal of Organometallic Chemistry, 2009, 694(2): 207-212.

[2]. Ramli R A, et al. A Mini‐Review of Thiourea‐Based Polymers in Catalysis: From Hydrogen‐Bonding to Emerging Polymerization Strategies[J]. Journal of Polymer Science, 2026.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	5.6114 mL	28.0568 mL	56.1136 mL	140.2839 mL
	5 mM	1.1223 mL	5.6114 mL	11.2227 mL	28.0568 mL
	10 mM	0.5611 mL	2.8057 mL	5.6114 mL	14.0284 mL
	15 mM	0.3741 mL	1.8705 mL	3.7409 mL	9.3523 mL
	20 mM	0.2806 mL	1.4028 mL	2.8057 mL	7.0142 mL
	25 mM	0.2245 mL	1.1223 mL	2.2445 mL	5.6114 mL
	30 mM	0.1870 mL	0.9352 mL	1.8705 mL	4.6761 mL
	40 mM	0.1403 mL	0.7014 mL	1.4028 mL	3.5071 mL
	50 mM	0.1122 mL	0.5611 mL	1.1223 mL	2.8057 mL
	60 mM	0.0935 mL	0.4676 mL	0.9352 mL	2.3381 mL
	80 mM	0.0701 mL	0.3507 mL	0.7014 mL	1.7535 mL
	100 mM	0.0561 mL	0.2806 mL	0.5611 mL	1.4028 mL