4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine - CAS 16097-63-5
Catalog: |
BB011692 |
Product Name: |
4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine |
CAS: |
16097-63-5 |
Synonyms: |
4-chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine; 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine |
IUPAC Name: | 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine |
Description: | 4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine (CAS# 16097-63-5) is a useful research chemical. |
Molecular Weight: | 228.62 |
Molecular Formula: | C6H4ClF3N2S |
Canonical SMILES: | CSC1=NC(=CC(=N1)Cl)C(F)(F)F |
InChI: | InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3 |
InChI Key: | GOORQLLDZBAQIW-UHFFFAOYSA-N |
Boiling Point: | 237.8 °C at 760 mmHg |
Density: | 1.52 g/cm3 |
MDL: | MFCD00269080 |
LogP: | 2.87070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020108590-A1 | Pyrimidine and five-membered nitrogen heterocycle derivative, preparation method therefor, and medical uses thereof | 20181130 |
TW-202039498-A | Pyrimidine five-membered nitrogen heterocyclic derivatives, a preparation method thereof and pharmaceutical use thereof | 20181130 |
CN-113272303-A | Pyrimido five-membered nitrogen heterocyclic derivative, preparation method and application thereof in medicine | 20181130 |
EP-3889153-A1 | Pyrimidine and five-membered nitrogen heterocycle derivative, preparation method therefor, and medical uses thereof | 20181130 |
KR-20210097144-A | Pyrimidine and 5-membered nitrogen heterocycle derivatives, methods for their preparation, and medical uses thereof | 20181130 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9735815 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9735815 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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