2-Chloro-4-methyl-7-(methylthio)quinoline - CAS 938459-19-9
Catalog: |
BB041113 |
Product Name: |
2-Chloro-4-methyl-7-(methylthio)quinoline |
CAS: |
938459-19-9 |
Synonyms: |
2-chloro-4-methyl-7-methylsulfanylquinoline |
IUPAC Name: | 2-chloro-4-methyl-7-methylsulfanylquinoline |
Description: | 2-Chloro-4-methyl-7-(methylthio)quinoline (CAS# 938459-19-9) is a useful research chemical. |
Molecular Weight: | 223.72 |
Molecular Formula: | C11H10ClNS |
Canonical SMILES: | CC1=CC(=NC2=C1C=CC(=C2)SC)Cl |
InChI: | InChI=1S/C11H10ClNS/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3 |
InChI Key: | RUYYKVHMGWOUCK-UHFFFAOYSA-N |
Boiling Point: | 365.9 °C at 760 mmHg |
Density: | 1.28 g/cm3 |
LogP: | 3.91850 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0222482 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0222482 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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