4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid - CAS 98276-75-6
Catalog: |
BB042132 |
Product Name: |
4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid |
CAS: |
98276-75-6 |
Synonyms: |
4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid |
IUPAC Name: | 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid |
Description: | 4-Methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid (CAS# 98276-75-6) is a useful research chemical. |
Molecular Weight: | 184.22 |
Molecular Formula: | C7H8N2O2S |
Canonical SMILES: | CC1=NC(=NC=C1C(=O)O)SC |
InChI: | InChI=1S/C7H8N2O2S/c1-4-5(6(10)11)3-8-7(9-4)12-2/h3H,1-2H3,(H,10,11) |
InChI Key: | AOPKZVQATOWLNA-UHFFFAOYSA-N |
Boiling Point: | 379.9 °C at 760 mmHg |
Melting Point: | 169-171 °C |
Density: | 1.38 g/cm3 |
MDL: | MFCD02187391 |
LogP: | 1.20510 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018301837-A1 | Tam kinase inhibitors | 20170713 |
CA-3069683-A1 | Tam kinase inhibitors | 20170713 |
EP-3652174-A1 | Tam kinase inhibitors | 20170713 |
WO-2019014513-A1 | INHIBITORS OF KINASES TAM | 20170713 |
US-2020291018-A1 | Tam kinase inhibitors | 20170713 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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