| CAS Number | 1255099-52-5 |
| Catalog Number | AG000NSD(AGN-PC-0WCYAL) |
| Chemical Name | 5-Chloro-2-(methylsulfanyl)pyrido[4,3-d]pyrimidine |
| IUPAC Name | 5-chloro-2-methylsulfanylpyrido[4,3-d]pyrimidine |
| InChI | InChI=1S/C8H6ClN3S/c1-13-8-11-4-5-6(12-8)2-3-10-7(5)9/h2-4H,1H3 |
| InChI Key | PLQLDJOSXAPLFB-UHFFFAOYSA-N |
| MDL Number | MFCD17926271 |
| Molecular Formula | C8H6ClN3S |
| Molecular Weight | 211.6713 |
| SMILES | CSC1=NC=C(C(Cl)=NC=C2)C2=N1 |
| Synonyms | 1255099-52-5,
5-CHLORO-2-(METHYLTHIO)PYRIDO[4,3-D]PYRIMIDINE,
5-Chloro-2-(methylsulfanyl)pyrido[4,3-d]pyrimidine,
Pyrido[4,3-d]pyrimidine, 5-chloro-2-(methylthio)-,
5-Chloro-2-methylsulfanyl-pyrido[4,3-d]pyrimidine,
SCHEMBL15564864,
DTXSID20857154,
PLQLDJOSXAPLFB-UHFFFAOYSA-N,
MFCD17926271,
ZINC66054634,
AS-35574,
5-chloro-2-methylsulfanyl-pyrido[4,3-d]-pyrimidine,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.667g/mol |
| Monoisotopic Mass | 210.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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