| CAS Number | 1849269-96-0 |
| Catalog Number | AG01C5OF |
| Chemical Name | 5-Ethynyl-2-methoxythiazole |
| IUPAC Name | 5-ethynyl-2-methoxy-1,3-thiazole |
| InChI | InChI=1S/C6H5NOS/c1-3-5-4-7-6(8-2)9-5/h1,4H,2H3 |
| InChI Key | NXVQFFYXGRCMSL-UHFFFAOYSA-N |
| MDL Number | MFCD29986494 |
| Molecular Formula | C6H5NOS |
| Molecular Weight | 139.1750 |
| SMILES | COC1=NC=C(C#C)S1 |
| Synonyms | 5-ethynyl-2-methoxy-1,3-thiazole,
1849269-96-0,
ZINC306469018,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.172g/mol |
| Monoisotopic Mass | 139.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number