| CAS Number | 2204368-16-9 |
| Catalog Number | AG01DTX0(AGN-PC-3H45D2) |
| Chemical Name | 4-(3-iodo-1H-pyrazol-4-yl)-2-(methylsulfanyl)pyrimidine hydrochloride |
| IUPAC Name | 4-(5-iodo-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine;hydrochloride |
| InChI | InChI=1S/C8H7IN4S.ClH/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9;/h2-4H,1H3,(H,11,13);1H |
| InChI Key | FDUWEWGYEPEGSM-UHFFFAOYSA-N |
| MDL Number | MFCD28992130 |
| Molecular Formula | C8H8ClIN4S |
| Molecular Weight | 354.5984 |
| SMILES | Cl.CSc1nccc(n1)-c1c[nH]nc1I |
| Synonyms | 4-(3-Iodo-1H-Pyrazol-4-Yl)-2-(Methylthio)Pyrimidine Hydrochloride,
2204368-16-9,
CS-0039991,
4-(3-IODO-1H-PYRAZOL-4-YL)-2-(METHYLTHIO)PYRIMIDINE HCL,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.594g/mol |
| Monoisotopic Mass | 353.92g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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