| CAS Number | 1909317-29-8 |
| Catalog Number | AG01C49M |
| Chemical Name | 3-methoxy-1,2-thiazole-5-carbonitrile |
| IUPAC Name | 3-methoxy-1,2-thiazole-5-carbonitrile |
| InChI | InChI=1S/C5H4N2OS/c1-8-5-2-4(3-6)9-7-5/h2H,1H3 |
| InChI Key | DTIKLZLBJRXSCH-UHFFFAOYSA-N |
| MDL Number | MFCD29763064 |
| Molecular Formula | C5H4N2OS |
| Molecular Weight | 140.1631 |
| SMILES | COC1=NSC(C#N)=C1 |
| Synonyms | 3-methoxy-1,2-thiazole-5-carbonitrile,
1909317-29-8,
AKOS033887452,
ZINC307687833,
Z2379802657,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.16g/mol |
| Monoisotopic Mass | 140.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number