1,2-Benzisothiazolin-3-oneCAS# 2634-33-5 |
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| Cas No. | 2634-33-5 | SDF | Download SDF |
| PubChem ID | 17520 | Appearance | Powder |
| Formula | C7H5NOS | M.Wt | 151 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 1,2-benzothiazol-3-one | ||
| SMILES | C1=CC=C2C(=C1)C(=O)NS2 | ||
| Standard InChIKey | DMSMPAJRVJJAGA-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
1,2-Benzisothiazolin-3-one Dilution Calculator
1,2-Benzisothiazolin-3-one Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 6.6225 mL | 33.1126 mL | 66.2252 mL | 132.4503 mL | 165.5629 mL |
| 5 mM | 1.3245 mL | 6.6225 mL | 13.245 mL | 26.4901 mL | 33.1126 mL |
| 10 mM | 0.6623 mL | 3.3113 mL | 6.6225 mL | 13.245 mL | 16.5563 mL |
| 50 mM | 0.1325 mL | 0.6623 mL | 1.3245 mL | 2.649 mL | 3.3113 mL |
| 100 mM | 0.0662 mL | 0.3311 mL | 0.6623 mL | 1.3245 mL | 1.6556 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Suspect screening and non-targeted analysis of drinking water using point-of-use filters.[Pubmed:29182974]
Environ Pollut. 2018 Mar;234:297-306.
Monitored contaminants in drinking water represent a small portion of the total compounds present, many of which may be relevant to human health. To understand the totality of human exposure to compounds in drinking water, broader monitoring methods are imperative. In an effort to more fully characterize the drinking water exposome, point-of-use water filtration devices (Brita((R)) filters) were employed to collect time-integrated drinking water samples in a pilot study of nine North Carolina homes. A suspect screening analysis was performed by matching high resolution mass spectra of unknown features to molecular formulas from EPA's DSSTox database. Candidate compounds with those formulas were retrieved from the EPA's CompTox Chemistry Dashboard, a recently developed data hub for approximately 720,000 compounds. To prioritize compounds into those most relevant for human health, toxicity data from the US federal collaborative Tox21 program and the EPA ToxCast program, as well as exposure estimates from EPA's ExpoCast program, were used in conjunction with sample detection frequency and abundance to calculate a "ToxPi" score for each candidate compound. From approximately 15,000 molecular features in the raw data, 91 candidate compounds were ultimately grouped into the highest priority class for follow up study. Fifteen of these compounds were confirmed using analytical standards including the highest priority compound, 1,2-Benzisothiazolin-3-one, which appeared in 7 out of 9 samples. The majority of the other high priority compounds are not targets of routine monitoring, highlighting major gaps in our understanding of drinking water exposures. General product-use categories from EPA's CPCat database revealed that several of the high priority chemicals are used in industrial processes, indicating the drinking water in central North Carolina may be impacted by local industries.
