(oxolan-3-yl)methanesulfonyl chloride - CAS 242459-48-9
Catalog: |
BB018386 |
Product Name: |
(oxolan-3-yl)methanesulfonyl chloride |
CAS: |
242459-48-9 |
Synonyms: |
3-oxolanylmethanesulfonyl chloride; oxolan-3-ylmethanesulfonyl chloride |
IUPAC Name: | oxolan-3-ylmethanesulfonyl chloride |
Description: | (oxolan-3-yl)methanesulfonyl chloride (CAS# 242459-48-9) is a reagent used in pharmaceutical synthesis. Used in the preparation of cryprochrome modulators. |
Molecular Weight: | 184.634 |
Molecular Formula: | C5H9ClO3S |
Canonical SMILES: | C1COCC1CS(=O)(=O)Cl |
InChI: | InChI=1S/C5H9ClO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2 |
InChI Key: | AYWFXFIKZGWGBF-UHFFFAOYSA-N |
LogP: | 1.67230 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019199864-A1 | Tri-substituted aryl and heteroaryl derivatives as modulators of pi3-kinase and autophagy pathways | 20180410 |
AU-2019251360-A1 | Tri-substituted aryl and heteroaryl derivatives as modulators of PI3-kinase and autophagy pathways | 20180410 |
CN-112189012-A | Trisubstituted aryl and heteroaryl derivatives as modulators of PI3 kinase and autophagy pathways | 20180410 |
EP-3774783-A1 | Tri-substituted aryl and heteroaryl derivatives as modulators of pi3-kinase and autophagy pathways | 20180410 |
JP-2021521178-A | Trisubstituted aryl and heteroaryl derivatives as regulators of PI3 kinase and autophagy pathway | 20180410 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9960930 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9960930 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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