≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194734 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194734 |
| Canonical Smiles | CSC1=NC2=CC=CC=C2O1 |
| IUPAC Name | 2-methylsulfanyl-1,3-benzoxazole |
| InChIKey | CBXAWZGFEDZKFR-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NOS/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3 |
| Isomeric SMILES | CSC1=NC2=CC=CC=C2O1 |
| Molecular Weight | 165.21 |
| Reaxy-Rn | 122347 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122347&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazoles |
| Alternative Parents | Alkylarylthioethers Benzenoids Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazole - Aryl thioether - Alkylarylthioether - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E23081143 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E23081151 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E23081159 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E23081162 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E23081175 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E23081268 | Certificate of Analysis | Mar 11, 2023 | M157959 |
| E1905175 | Certificate of Analysis | Feb 09, 2023 | M157959 |
| Refractive Index | 1.6120 to 1.6170 |
|---|---|
| Flash Point(°C) | 119 °C |
| Boil Point(°C) | 122°C |
| Melt Point(°C) | 9 °C |
| Molecular Weight | 165.210 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 165.025 Da |
| Monoisotopic Mass | 165.025 Da |
| Topological Polar Surface Area | 51.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
