Methyl 5-(Chlorosulfonyl)pentanoate - CAS 1408058-14-9
Catalog: |
BB009119 |
Product Name: |
Methyl 5-(Chlorosulfonyl)pentanoate |
CAS: |
1408058-14-9 |
Synonyms: |
5-chlorosulfonylpentanoic acid methyl ester; methyl 5-chlorosulfonylpentanoate |
IUPAC Name: | methyl 5-chlorosulfonylpentanoate |
Description: | Methyl 5-(Chlorosulfonyl)pentanoate (CAS# 1408058-14-9) is a useful research chemical. |
Molecular Weight: | 214.67 |
Molecular Formula: | C6H11ClO4S |
Canonical SMILES: | COC(=O)CCCCS(=O)(=O)Cl |
InChI: | InChI=1S/C6H11ClO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H2,1H3 |
InChI Key: | IECLVGBBQICKPG-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.97910 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021032591-A1 | Macrocyclic sulfonylurea derivatives useful as nlrp3 inhibitors | 20190816 |
EP-3444237-A1 | Iridinesulfonamide compound and use method thereof | 20160322 |
TW-201736341-A | Propidium sulfonamide compounds and methods of use thereof | 20160322 |
WO-2017162156-A1 | Iridinesulfonamide compound and use method thereof | 20160322 |
EP-3444237-B1 | Iridinesulfonamide compound and use method thereof | 20160322 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0066577 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0066577 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 68.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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