| CAS Number | 111079-19-7 |
| Catalog Number | AG008Z3P(AGN-PC-00NHMP) |
| Chemical Name | 4-Chloro-5-iodo-2-methylthiopyrimidine |
| IUPAC Name | 4-chloro-5-iodo-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C5H4ClIN2S/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3 |
| InChI Key | RPTQHLHIBGHGBF-UHFFFAOYSA-N |
| MDL Number | MFCD20492491 |
| Molecular Formula | C5H4ClIN2S |
| Molecular Weight | 286.5211 |
| SMILES | CSC1=NC=C(I)C(Cl)=N1 |
| Synonyms | 4-Chloro-5-iodo-2-(methylthio)pyrimidine,
111079-19-7,
4-chloro-5-iodo-2-methylthiopyrimidine,
Pyrimidine, 4-chloro-5-iodo-2-(methylthio)-,
ACMC-20mdzy,
SCHEMBL1493979,
CTK0G1921,
DTXSID70545574,
RPTQHLHIBGHGBF-UHFFFAOYSA-N,
ZINC34111648,
FCH1417939,
5-iodo-4-chloro-2-methylthiopyrimidine,
4-chloro-5-iodo-2-(methylthio)pyrimdine,
4-chloro-5-iodo-2-methylsulfanylpyrimidine,
AX8263914,
4-chloro-5-iodo-2-methylsulfanyl-pyrimidine,
4-Chloro-5-iodo-2-(methylsulfanyl)pyrimidine,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.515g/mol |
| Monoisotopic Mass | 285.883g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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