Benzoyl isothiocyanate
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Benzoyl isothiocyanate is an aromatic isothiocyanate derivative with antibacterial and acaricidal activities. Benzoyl isothiocyanate inhibits the growth of specific oral bacteria, and also serves as an intermediate for the synthesis of heterocyclic compounds such as thiazolidine and quinazoline derivatives. Benzoyl isothiocyanate exhibits acaricidal activity against Dermatophagoides farina (dust mite) and D. pteronyssinus (house dust mite). Benzoyl isothiocyanate can be used in research related to bacterial infection, pest control and organic synthesis.
For research use only. We do not sell to patients.
- Purity : 99.79%
- CAS No.: 532-55-8
- Formula: C8H5NOS
- Molecular Weight:163.20
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Storage:
4°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
Benzoyl isothiocyanate can react with various arylamine substrates to form thiourea intermediates, which can be converted into a series of heterocyclic products including thiazolidines, oxazolidines, imidazolidinones, thiazines and tetrahydroquinazolines via desulfurization, acid cyclization and other transformations[1].
Benzoyl isothiocyanate (0.10-5.0 mg/disc; 2 days) potently inhibits the growth of Clostridioides difficile ATCC 9689, Clostridium perfringens ATCC 13124, and Escherichia coli ATCC 11775 at the dose of 5.0 mg/disc, with its activity decreasing in a dose-dependent manner: it only exerts weak inhibitory effects on the three strains mentioned above at 0.25 mg/disc; at 0.10 mg/disc, it only shows weak inhibitory effects on Clostridium strains but has no inhibitory effect on E. coli[2].
Benzoyl isothiocyanate (0.05-2.0 mg/disc; 2 days) exerts dose-dependent anaerobic growth inhibitory effects against Porphyromonas asaccharolytica ATCC 25260, Porphyromonas gingivalis ATCC 33277, Streptococcus sobrinus ATCC 27607, and Streptococcus mutans ATCC 25175[3].
Benzoyl isothiocyanate exhibits acaricidal activity against Dermatophagoides farina (house dust mite) and D. pteronyssinus (European house dust mite), with LD50 values of 13.8 and 7.63 µg/cm2 respectively[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 532-55-8
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Appearance Liquid (Density: 1.138±0.14 g/cm3)
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Molecular Weight 163.20
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Formula C8H5NOS
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Color Colorless to light yellow
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SMILES
O=C(N=C=S)C1=CC=CC=C1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Solvent & Solubility
In Vitro:
DMSO : 50 mg/mL (306.37 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 5 mg/mL (30.64 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (291 KB)
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SDS (642 KB)
- English - EN (642 KB)
- Français - FR (642 KB)
- Deutsch - DE (642 KB)
- Norwegian - NO (642 KB)
- Español - ES (642 KB)
- Swedish - SV (642 KB)
- Italian - IT (642 KB)
- Korean - KR (642 KB)
- Portuguese - PT (642 KB)
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Handling Instructions (2659 KB)
References
[2]. Kim MG, et al. Growth-inhibiting activities of phenethyl isothiocyanate and its derivatives against intestinal bacteria. Journal of food science. 2009 Oct;74(8):M467-71. [Content Brief]
[4]. Lim JH, et al. Acaricidal constituents isolated from Sinapis alba L. seeds and structure-activity relationships. J Agric Food Chem. 2008 Nov 12;56(21):9962-6. [Content Brief]
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.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 6.1275 mL | 30.6373 mL | 61.2745 mL | 153.1863 mL |
| 5 mM | 1.2255 mL | 6.1275 mL | 12.2549 mL | 30.6373 mL | |
| 10 mM | 0.6127 mL | 3.0637 mL | 6.1275 mL | 15.3186 mL | |
| 15 mM | 0.4085 mL | 2.0425 mL | 4.0850 mL | 10.2124 mL | |
| 20 mM | 0.3064 mL | 1.5319 mL | 3.0637 mL | 7.6593 mL | |
| 25 mM | 0.2451 mL | 1.2255 mL | 2.4510 mL | 6.1275 mL | |
| 30 mM | 0.2042 mL | 1.0212 mL | 2.0425 mL | 5.1062 mL | |
| 40 mM | 0.1532 mL | 0.7659 mL | 1.5319 mL | 3.8297 mL | |
| 50 mM | 0.1225 mL | 0.6127 mL | 1.2255 mL | 3.0637 mL | |
| 60 mM | 0.1021 mL | 0.5106 mL | 1.0212 mL | 2.5531 mL | |
| 80 mM | 0.0766 mL | 0.3830 mL | 0.7659 mL | 1.9148 mL | |
| 100 mM | 0.0613 mL | 0.3064 mL | 0.6127 mL | 1.5319 mL |
Benzoyl isothiocyanate Related Classifications
HY-Y0823 Related Classifications
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Keywords
- Benzoyl isothiocyanate
- 532-55-8
- Drug Intermediate
- Bacterial
- Insecticide
- intestinal bacteria
- enteritis
- diarrhea
- Streptococcus mutans
- colitis
- oral bacterial diseases
- Clostridium difficile ATCC 9689
- Clostridium perfringens ATCC 13124
- Bifidobacterium bifidum ATCC 29521
- Escherichia coli ATCC 11775
- Inhibitor
- inhibitor
- inhibit