Cyclobutylmethanesulfonyl Chloride - CAS 1220695-06-6
Catalog: |
BB005331 |
Product Name: |
Cyclobutylmethanesulfonyl Chloride |
CAS: |
1220695-06-6 |
Synonyms: |
cyclobutylmethanesulfonyl chloride; cyclobutylmethanesulfonyl chloride |
IUPAC Name: | cyclobutylmethanesulfonyl chloride |
Description: | Cyclobutylmethanesulfonyl Chloride (CAS# 1220695-06-6) is used in the preparation of tetrahydropyrrole compounds as D2 receptors and DAT receptors inhibitors. |
Molecular Weight: | 168.64 |
Molecular Formula: | C5H9ClO2S |
Canonical SMILES: | C1CC(C1)CS(=O)(=O)Cl |
InChI: | InChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2 |
InChI Key: | PWKSOBWFPCITKW-UHFFFAOYSA-N |
Appearance: | Colorless to yellow liquid |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 2.43590 |
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-2020232470-A1 | Chemical compounds | 20190513 |
US-2021188879-A1 | Chemical compounds | 20190513 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
CN-109956931-A | Tetrahydropyrrole compound, preparation method, pharmaceutical composition and purposes | 20171226 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0011784 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0011784 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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