4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid - CAS 313339-35-4
Catalog: |
BB020880 |
Product Name: |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid |
CAS: |
313339-35-4 |
Synonyms: |
4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid |
IUPAC Name: | 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid |
Description: | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid (CAS# 313339-35-4) is a useful research chemical. |
Molecular Weight: | 239.08 |
Molecular Formula: | C6H4Cl2N2O2S |
Canonical SMILES: | CSC1=NC(=C(C(=N1)Cl)C(=O)O)Cl |
InChI: | InChI=1S/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12) |
InChI Key: | LUCAXEBLTQAMHS-UHFFFAOYSA-N |
Boiling Point: | 384.523 °C at 760 mmHg |
Density: | 1.716 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06208699 |
LogP: | 2.20350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020260857-A1 | Hydroxamate compounds as antagonists of the adenosine a2a receptor | 20190613 |
CA-3029883-A1 | Compounds and their use for reducing uric acid levels | 20160706 |
CN-109476642-A | Compound and its purposes for reducing uric acid level | 20160706 |
EP-3481819-A1 | Compounds and their use for reducing uric acid levels | 20160706 |
JP-2019520387-A | Compounds for reducing the amount of uric acid and their use | 20160706 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9370539 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9370539 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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