| CAS Number | 169377-82-6 |
| Catalog Number | AG01EILK(AGN-PC-02TD98) |
| Chemical Name | 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole |
| IUPAC Name | 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole |
| InChI | InChI=1S/C7H9NO2S/c1-5-4-11-6(8-5)7-9-2-3-10-7/h4,7H,2-3H2,1H3 |
| InChI Key | BIDIFONCVHDMGM-UHFFFAOYSA-N |
| MDL Number | MFCD31665603 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | CC1N=C(C2OCCO2)SC=1 |
| Synonyms | SCHEMBL8866577,
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole,
169377-82-6,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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