| CAS Number | 1083424-32-1 |
| Catalog Number | AG01DUYI |
| Chemical Name | 4-methyl-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C9H12N2OS/c1-7-8(6-12)13-9(10-7)11-4-2-3-5-11/h6H,2-5H2,1H3 |
| InChI Key | VSVLKNBDLGAADH-UHFFFAOYSA-N |
| MDL Number | MFCD17217365 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | CC1=C(C=O)SC(N2CCCC2)=N1 |
| Synonyms | 4-Methyl-2-pyrrolidin-1-yl-thiazole-5-carbaldehyde,
1083424-32-1,
AKOS012058260,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number