Benzothiazole
| Empirical Formula (Hill Notation): | C7H5NS |
| CAS Number: | 95-16-9 |
| Molecular Weight: | 135.19 |
| Beilstein/REAXYS Number: | 109468 |
| EC Number: | 202-396-2 |
| MDL number: | MFCD00005775 |
| PubChem Substance ID: | 329759489 |
| NACRES: | NA.24 |
| Кат. номер |
| 61427-VAR |
| 61427-100MG |
Benzothiazole is a naturally occurring bicyclic heteroaromatic compound with various pharmacological activities including anticancer, antimicrobial, anticonvulsant, antiviral, antitubercular, antimalarial, antihelmintic, analgesic, anti-inflammatory, antidiabetic, and fungicidal effects. It is also a known aroma constituent of tea leaves and cranberries.
Benzothiazole may be used as an analytical standard for the determination of the analyte in clothing textile samples, environmental water samples, and grapes/wine by various chromatography-based techniques.
Ion Mobility: TWCCSN2 value of 121.0 2 [M+H]+
The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.
TWCCS measurements are expected to be within 2% of this reference value.
P/N 61427 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.
| Quality Level | 100 |
| grade | analytical standard |
| vapor density | 4.66 (vs air) |
| vapor pressure | 34 mmHg ( 131 °C) |
| assay | 97.0% (GC) |
| shelf life | limited shelf life, expiry date on the label |
| impurities | 0.1% aniline, 5.0% water |
| refractive index | n20/D 1.639-1.645, n20/D 1.642 (lit.) |
| bp | 231 °C (lit.) |
| mp | 2 °C (lit.) |
| density | 1.238 g/mL at 25 °C (lit.) |
| Featured Industry | Cleaning Products Cosmetics Flavors and Fragrances Food and Beverages Personal Care |
| format | neat |
| SMILES string | c1ccc2scnc2c1 |
| InChI | 1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| InChI key | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| pictograms | GHS06 |
| signalword | Danger |
| hcodes | H301 + H311 - H319 - H332 |
| pcodes | P280 - P301 + P310 - P305 + P351 + P338 - P312 |
| RIDADR | UN 2810 6.1 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point F | 235.4 °F - closed cup |
| Flash Point C | 113 °C - closed cup |