| CAS Number | 100241-92-7 |
| Catalog Number | AG01C3UH(AGN-PC-0N7UMM) |
| Chemical Name | (3-Methoxy-1,2-thiazol-5-yl)methanol |
| IUPAC Name | (3-methoxy-1,2-thiazol-5-yl)methanol |
| InChI | InChI=1S/C5H7NO2S/c1-8-5-2-4(3-7)9-6-5/h2,7H,3H2,1H3 |
| InChI Key | YHVIGIWXHFESMO-UHFFFAOYSA-N |
| MDL Number | MFCD25954026 |
| Molecular Formula | C5H7NO2S |
| Molecular Weight | 145.1796 |
| SMILES | COC1=NSC(CO)=C1 |
| Synonyms | (3-methoxy-1,2-thiazol-5-yl)methanol,
100241-92-7,
5-(hydroxymethyl)-3-methoxyisothiazole,
(3-methoxy-5-isothiazolyl)methanol,
ZINC39115864,
(3-methoxy-isothiazol-5-yl)-methanol,
CID10630638,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.176g/mol |
| Monoisotopic Mass | 145.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number