4-Chloro-2-(methylthio)pyrimidine-5-carboxylic Acid - CAS 74840-34-9
Catalog: |
BB035170 |
Product Name: |
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic Acid |
CAS: |
74840-34-9 |
Synonyms: |
4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid; 4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid |
IUPAC Name: | 4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid |
Description: | 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic Acid (CAS# 74840-34-9) is a useful research chemical compound. |
Molecular Weight: | 204.63 |
Molecular Formula: | C6H5ClN2O2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)Cl)C(=O)O |
InChI: | InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11) |
InChI Key: | MYNMNRVNVCHWIT-UHFFFAOYSA-N |
Boiling Point: | 380.91 °C at 760 mmHg |
Density: | 1.597 g/cm3 |
MDL: | MFCD06643376 |
LogP: | 1.55010 |
Publication Number | Title | Priority Date |
CN-110117274-A | A kind of preparation method of avanaphil impurity | 20190508 |
WO-2020109434-A1 | Compounds for electronic devices | 20181130 |
CN-109320511-A | A kind of high-purity Pa Boxini intermediate product and preparation method thereof | 20181026 |
EP-3712149-A1 | Benzamide derivative compound, method for preparing same, and pharmaceutical composition for treating or preventing inflammatory disease containing same as active ingredient | 20171116 |
CN-107312012-B | Pyrimido phenodiazine * analog derivative and its medical usage | 20170629 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.9760263 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.9760263 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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