2-(Methylthio)pyrimidine-4-carbaldehyde - CAS 1074-68-6
Catalog: |
BB002083 |
Product Name: |
2-(Methylthio)pyrimidine-4-carbaldehyde |
CAS: |
1074-68-6 |
Synonyms: |
2-(methylthio)-4-pyrimidinecarboxaldehyde; 2-methylsulfanylpyrimidine-4-carbaldehyde |
IUPAC Name: | 2-methylsulfanylpyrimidine-4-carbaldehyde |
Description: | 2-(Methylthio)pyrimidine-4-carbaldehyde (CAS# 1074-68-6) is used in the synthesis of cytokine synthesis inhibitors. |
Molecular Weight: | 154.19 |
Molecular Formula: | C6H6N2OS |
Canonical SMILES: | CSC1=NC=CC(=N1)C=O |
InChI: | InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3 |
InChI Key: | QGJXHPACBLAFFJ-UHFFFAOYSA-N |
Boiling Point: | 301.2 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
MDL: | MFCD02683211 |
LogP: | 1.01100 |
Publication Number | Title | Priority Date |
WO-2020093097-A1 | Compounds and compositions for the treatment of respiratory diseases | 20181107 |
WO-2020093098-A1 | Novel compounds for the treatment of respiratory diseases | 20181107 |
CN-113260616-A | Novel compounds for the treatment of respiratory diseases | 20181107 |
CN-113272298-A | Compounds and compositions for the treatment of respiratory diseases | 20181107 |
EP-3877382-A1 | Novel compounds for the treatment of respiratory diseases | 20181107 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02008399 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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