| CAS Number | 199599-68-3 |
| Catalog Number | AG002C7D(AGN-PC-03R812) |
| Chemical Name | 2-((Dimethylamino)methyl)thiazole-4-carbaldehyde |
| IUPAC Name | 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C7H10N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h4-5H,3H2,1-2H3 |
| InChI Key | YIKRYWHYPPRTPL-UHFFFAOYSA-N |
| MDL Number | MFCD14622122 |
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.2321 |
| SMILES | CN(CC1SC=C(C=O)N=1)C |
| Synonyms | 199599-68-3,
2-((dimethylamino)methyl)thiazole-4-carbaldehyde,
4-Thiazolecarboxaldehyde, 2-[(dimethylamino)methyl]-,
SCHEMBL5778309,
CTK0E0444,
DTXSID50626916,
YIKRYWHYPPRTPL-UHFFFAOYSA-N,
ZINC41046541,
AKOS010562116,
2-dimethylaminomethylthiazole-4-carboxaldehyde,
2-[(Dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number