Hexyl Methanesulfonate - CAS 16156-50-6
Catalog: |
BB011759 |
Product Name: |
Hexyl Methanesulfonate |
CAS: |
16156-50-6 |
Synonyms: |
methanesulfonic acid hexyl ester; hexyl methanesulfonate |
IUPAC Name: | hexyl methanesulfonate |
Description: | Hexyl Methanesulfonate (CAS# 16156-50-6) is a methanesulfpnate agent and potential anticancer agent that is can easily cross the blood-brain barrier. |
Molecular Weight: | 180.27 |
Molecular Formula: | C7H16O3S |
Canonical SMILES: | CCCCCCOS(=O)(=O)C |
InChI: | InChI=1S/C7H16O3S/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3 |
InChI Key: | URIRDRHUUFRHAS-UHFFFAOYSA-N |
Boiling Point: | 277.609 °C at 760 mmHg |
Density: | 1.051 g/cm3 |
Appearance: | Clear liquid |
MDL: | MFCD00674707 |
LogP: | 2.62370 |
Publication Number | Title | Priority Date |
CN-112645971-A | Method for directly preparing alkyl borate compound from alkyl halide | 20210120 |
CN-112505188-A | GC/FID (gas chromatography/flame ionization Detector) determination method for contents of methanesulfonic acid alkyl ester and methanesulfonyl chloride in methanesulfonic acid | 20201216 |
WO-2021125301-A1 | Non-aqueous electrolyte solution and energy device | 20191217 |
WO-2021097046-A1 | Anti-cancer nuclear hormone receptor-targeting compounds | 20191113 |
KR-20200002720-A | A preparing method of diethylamino hydroxybenzoyl hexylbenzoate | 20191011 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08201554 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08201554 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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