| CAS Number | 439692-03-2 |
| Catalog Number | AG01B9L8 |
| Chemical Name | 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C7H10N2OS/c1-9(2)4-6-3-8-7(5-10)11-6/h3,5H,4H2,1-2H3 |
| InChI Key | BJSYJISPPSMEAW-UHFFFAOYSA-N |
| MDL Number | MFCD28397408 |
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.2321 |
| SMILES | O=CC1=NC=C(CN(C)C)S1 |
| Synonyms | 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde,
439692-03-2,
ZINC238850415,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.23g/mol |
| Monoisotopic Mass | 170.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number