| CAS Number | 1289386-12-4 |
| Catalog Number | AG009I2G(AGN-PC-0WNQ6T) |
| Chemical Name | 1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(2-methylsulfanylpyrimidin-4-yl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C9H11N3O2S/c1-15-9-10-3-2-7(11-9)12-4-6(5-12)8(13)14/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | DQGWZWULPMPHLN-UHFFFAOYSA-N |
| MDL Number | MFCD18837435 |
| Molecular Formula | C9H11N3O2S |
| Molecular Weight | 225.2675 |
| SMILES | S(C)C1=NC=CC(=N1)N1CC(C(O)=O)C1 |
| Synonyms | 1289386-12-4,
1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid,
1-(2-Methylsulfanyl-pyrimidin-4-yl)-azetidine-3-carboxylic acid,
ZINC72203824,
AKOS015940807,
AK-52395,
AJ-120456,
CS-0062042,
ST24037047,
1-(2-Methylsulfanyl-pyrimidin-4-yl)azetidine-3-carboxylic acid,
1-(2-Methylsulfanylpyrimidin-4-yl)azetidine-3-carboxylic acid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.266g/mol |
| Monoisotopic Mass | 225.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number