(Ethoxycarbonylmethyl)dimethylsulfonium bromide - CAS 5187-82-6
Catalog: |
BB027635 |
Product Name: |
(Ethoxycarbonylmethyl)dimethylsulfonium bromide |
CAS: |
5187-82-6 |
Synonyms: |
(2-ethoxy-2-oxoethyl)-dimethylsulfanium;bromide |
IUPAC Name: | (2-ethoxy-2-oxoethyl)-dimethylsulfanium;bromide |
Description: | (Ethoxycarbonylmethyl)dimethylsulfonium bromide (CAS# 5187-82-6) is a reagent useful for the enantiospecific synthesis of aminobicyclohexanedicarboxylic acid by a modified Corey-Link reaction. |
Molecular Weight: | 231.15 |
Molecular Formula: | C6H13BrO2S |
Canonical SMILES: | CCOC(=O)C[S+](C)C.[Br-] |
InChI: | InChI=1S/C6H13O2S.BrH/c1-4-8-6(7)5-9(2)3;/h4-5H2,1-3H3;1H/q+1;/p-1 |
InChI Key: | JXFPTJYKYKVENJ-UHFFFAOYSA-M |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00031604 |
LogP: | -2.56860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149968-A | Compound serving as ketohexokinase inhibitor and application thereof | 20200430 |
WO-2020257135-A1 | Triazole carboxylic acids as lpa antagonists | 20190618 |
WO-2020257138-A1 | Isoxazole carboxylic acids as lpa antagonists | 20190618 |
AU-2018243770-A1 | Isoquinolines as inhibitors of HPK1 | 20170330 |
CN-110709392-A | Isoquinoline as HPK1 inhibitors | 20170330 |
Complexity: | 91.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.98196 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.98196 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS