| CAS Number | 1316224-87-9 |
| Catalog Number | AG01BT2V |
| Chemical Name | 2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole |
| IUPAC Name | 2-(pyrrolidin-3-ylmethyl)-1,3-thiazole |
| InChI | InChI=1S/C8H12N2S/c1-2-9-6-7(1)5-8-10-3-4-11-8/h3-4,7,9H,1-2,5-6H2 |
| InChI Key | QPBSYJHLSRVXPD-UHFFFAOYSA-N |
| MDL Number | MFCD19691617 |
| Molecular Formula | C8H12N2S |
| Molecular Weight | 168.2593 |
| SMILES | C(C1SC=CN=1)C1CNCC1 |
| Synonyms | 2-[(pyrrolidin-3-yl)methyl]-1,3-thiazole,
1316224-87-9,
AKOS023415537,
CCG-210000,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.258g/mol |
| Monoisotopic Mass | 168.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number