4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxaldehyde - CAS 33097-11-9
Catalog: |
BB021558 |
Product Name: |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxaldehyde |
CAS: |
33097-11-9 |
Synonyms: |
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde |
IUPAC Name: | 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde |
Description: | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxaldehyde (CAS# 33097-11-9) is a compound useful in organic synthesis. |
Molecular Weight: | 223.08 |
Molecular Formula: | C6H4Cl2N2OS |
Canonical SMILES: | CSC1=NC(=C(C(=N1)Cl)C=O)Cl |
InChI: | InChI=1S/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3 |
InChI Key: | MRHGOAKYYORQGQ-UHFFFAOYSA-N |
Boiling Point: | 327.7 °C at 760 mmHg |
Melting Point: | 82-84 °C |
Purity: | 95 % |
Density: | 1.57 g/cm3 |
Appearance: | Pale yellow solid |
MDL: | MFCD00194954 |
LogP: | 2.31780 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071919-A1 | Hck as a therapeutic target in myd88 mutated diseases | 20191008 |
RU-2708892-C1 | 2-aryl-6-(methylthio)-4-chloro-2h-pyrazolo[3,4-d]pyrimidines and a method for production thereof | 20190926 |
RU-2709018-C1 | 1-benzoyl-substituted-6-(methylthio)-4-chloro-1h-pyrazolo[3,4-d]pyrimidines and a method for production thereof | 20190926 |
WO-2021027943-A1 | Pyrimidinopyridazinone derivative and medical use thereof | 20190814 |
WO-2020212553-A1 | New pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling | 20190418 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.9421393 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.9421393 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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