4,5-Dichloro-2-(methylthio)pyrimidine - CAS 99469-85-9
Catalog: |
BB042297 |
Product Name: |
4,5-Dichloro-2-(methylthio)pyrimidine |
CAS: |
99469-85-9 |
Synonyms: |
4,5-dichloro-2-(methylthio)pyrimidine; 4,5-dichloro-2-methylsulfanylpyrimidine |
IUPAC Name: | 4,5-dichloro-2-methylsulfanylpyrimidine |
Description: | 4,5-Dichloro-2-(methylthio)pyrimidine (CAS# 99469-85-9) is a useful research chemical. |
Molecular Weight: | 195.07 |
Molecular Formula: | C5H4Cl2N2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)Cl)Cl |
InChI: | InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3 |
InChI Key: | JATIYCWFOYRIEM-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD16987934 |
LogP: | 2.50530 |
Publication Number | Title | Priority Date |
WO-2019155468-A1 | Heteroaryl compounds, pharmaceutical compositions thereof, and their therapeutic use | 20180208 |
US-2020383984-A1 | Heteroaryl compounds, pharmaceutical compositions thereof, and their therapeutic use | 20180208 |
CA-3065005-A1 | Benzimidazolone derived inhibitors of bcl6 | 20170526 |
EP-3630291-A1 | Benzimidazolone derived inhibitors of bcl6 | 20170526 |
KR-20200014341-A | Inhibitors of Benzimidazolone-Derived BCL6 | 20170526 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.9472247 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.9472247 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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