Ethyl 4-(Chlorosulfonyl)-5-methylthiophene-2-carboxylate - CAS 1185853-40-0
Catalog: |
BB004148 |
Product Name: |
Ethyl 4-(Chlorosulfonyl)-5-methylthiophene-2-carboxylate |
CAS: |
1185853-40-0 |
Synonyms: |
4-chlorosulfonyl-5-methyl-2-thiophenecarboxylic acid ethyl ester; ethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate |
IUPAC Name: | ethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate |
Description: | Ethyl 4-(Chlorosulfonyl)-5-methylthiophene-2-carboxylate (CAS# 1185853-40-0 ) is a useful research chemical. |
Molecular Weight: | 268.74 |
Molecular Formula: | C8H9ClO4S2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(S1)C)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H9ClO4S2/c1-3-13-8(10)6-4-7(5(2)14-6)15(9,11)12/h4H,3H2,1-2H3 |
InChI Key: | YTPMKZFLUXHKHW-UHFFFAOYSA-N |
LogP: | 3.24150 |
Publication Number | Title | Priority Date |
AU-2009218861-A1 | Glucokinase activators | 20080225 |
CA-2716599-A1 | Glucokinase activators | 20080225 |
EP-2244706-A1 | Glucokinase activators | 20080225 |
EP-2244706-B1 | Glucokinase activators | 20080225 |
JP-2011513252-A | Glucokinase activator | 20080225 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.9630788 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.9630788 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 97.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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