3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide - CAS 54016-70-5
Catalog: |
BB028461 |
Product Name: |
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide |
CAS: |
54016-70-5 |
Synonyms: |
2-(3-ethyl-4-methyl-5-thiazol-3-iumyl)ethanol;bromide; 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide |
IUPAC Name: | 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide |
Description: | 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium Bromide (CAS# 54016-70-5) is used in the novel synthesis of benzoin catalyzed by thiazolium salts. |
Molecular Weight: | 252.17 |
Molecular Formula: | C8H14BrNOS |
Canonical SMILES: | CC[N+]1=CSC(=C1C)CCO.[Br-] |
InChI: | InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | BDQRQMLWZJQQKS-UHFFFAOYSA-M |
MDL: | MFCD00040549 |
LogP: | -2.09730 |
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-111533655-A | Preparation method of long-carbon-chain keto dicarboxylic ester | 20200531 |
KR-102160377-B1 | Atorvastatin Derived HMG-CoA Reductase Degradation Inducing Compound | 20200325 |
US-11066391-B1 | Atorvastatin derived HMG-CoA reductase degradation inducing compound | 20200325 |
US-2021094944-A1 | Heterocyclic compound | 20190927 |
WO-2021060567-A1 | 2-isoindol-1,3,4-oxadiazole derivatives useful as hdac6 inhibitors | 20190927 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.99795 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.99795 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Oxazole/Thiazole
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