3-bromo-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine - CAS 1306829-95-7
Catalog: |
BB007155 |
Product Name: |
3-bromo-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine |
CAS: |
1306829-95-7 |
Synonyms: |
3-bromo-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidine; 3-bromo-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine |
IUPAC Name: | 3-bromo-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine |
Description: | 3-bromo-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS# 1306829-95-7) is a useful research chemical. |
Molecular Weight: | 245.098 |
Molecular Formula: | C6H5BrN4S |
Canonical SMILES: | CSC1=NC2=NNC(=C2C=N1)Br |
InChI: | InChI=1S/C6H5BrN4S/c1-12-6-8-2-3-4(7)10-11-5(3)9-6/h2H,1H3,(H,8,9,10,11) |
InChI Key: | PBEIXBIKEFRPGU-UHFFFAOYSA-N |
LogP: | 1.83730 |
Publication Number | Title | Priority Date |
WO-2020010210-A1 | Mertk degraders and uses thereof | 20180706 |
EP-3344619-A1 | Phenoxymethyl derivatives | 20150904 |
JP-2018527353-A | Phenoxymethyl derivative | 20150904 |
KR-20180043837-A | Phenoxymethyl derivative | 20150904 |
TW-201718509-A | Novel phenoxymethyl derivatives | 20150904 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.94183 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.94183 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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