5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid - CAS 50593-92-5
Catalog: |
BB027126 |
Product Name: |
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid |
CAS: |
50593-92-5 |
Synonyms: |
5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid |
IUPAC Name: | 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid |
Description: | 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid (CAS# 50593-92-5) is a useful research chemical. |
Molecular Weight: | 249.09 |
Molecular Formula: | C6H5BrN2O2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)C(=O)O)Br |
InChI: | InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11) |
InChI Key: | YJEWVVYJOJJLBP-UHFFFAOYSA-N |
Boiling Point: | 414.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.91 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD00238866 |
LogP: | 1.65920 |
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-2021204159-A1 | Menin inhibitors and methods of use for treating cancer | 20200408 |
WO-2021011713-A1 | Imidazopyrimidines as eed inhibitors and the use thereof | 20190716 |
WO-2020109434-A1 | Compounds for electronic devices | 20181130 |
EP-3887478-A1 | Compounds for electronic devices | 20181130 |
KR-20210097741-A | Compounds for Electronic Devices | 20181130 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.92551 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.92551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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