4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile - CAS 33097-13-1
Catalog: |
BB021559 |
Product Name: |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile |
CAS: |
33097-13-1 |
Synonyms: |
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile |
IUPAC Name: | 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile |
Description: | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile (CAS# 33097-13-1) is a compound useful in organic synthesis. |
Molecular Weight: | 220.08 |
Molecular Formula: | C6H3Cl2N3S |
Canonical SMILES: | CSC1=NC(=C(C(=N1)Cl)C#N)Cl |
InChI: | InChI=1S/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3 |
InChI Key: | GLOOTGZVAHKTJS-UHFFFAOYSA-N |
Boiling Point: | 367.3 °C at 760 mmHg |
Density: | 1.58 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD00474490 |
LogP: | 2.37698 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021063852-A1 | Substituted pyrimidine for the treatment and prophylaxis of hepatitis b virus infection | 20190930 |
WO-2020028706-A1 | Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer | 20180801 |
AU-2019312670-A1 | Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer | 20180801 |
CN-112584833-A | Heterocyclic spiro compounds and methods of use thereof for treating cancer | 20180801 |
EP-3829580-A1 | Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer | 20180801 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9424737 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9424737 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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