| CAS Number | 1424533-72-1 |
| Catalog Number | AG01AFLX |
| Chemical Name | 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile |
| IUPAC Name | 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C9H10ClN3S/c10-8-7(5-11)9(14-13-8)12-6-3-1-2-4-6/h6,12H,1-4H2 |
| InChI Key | MHEGQORSOWZPOZ-UHFFFAOYSA-N |
| MDL Number | MFCD29762576 |
| Molecular Formula | C9H10ClN3S |
| Molecular Weight | 227.7138 |
| SMILES | ClC1C(C#N)=C(NC2CCCC2)SN=1 |
| Synonyms | 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile,
1424533-72-1,
ZINC47405213,
AKOS034495324,
FCH4799618,
MCULE-4785485966,
BBV-47142787,
EN300-154521,
Z641458014,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.71g/mol |
| Monoisotopic Mass | 227.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number