| CAS Number | 35544-51-5 |
| Catalog Number | AG01EJSQ |
| Chemical Name | dimethoxy-1,2-thiazole-4-carbonitrile |
| IUPAC Name | 3,5-dimethoxy-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C6H6N2O2S/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3 |
| InChI Key | ASCJUJNQXUXUHF-UHFFFAOYSA-N |
| MDL Number | MFCD31615715 |
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.189 |
| SMILES | COC1C(C#N)=C(OC)SN=1 |
| Synonyms | SCHEMBL5150632,
AKOS034128291,
dimethoxy-1,2-thiazole-4-carbonitrile,
35544-51-5,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.186g/mol |
| Monoisotopic Mass | 170.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number