Ethyl 4-Aminotetrahydrothiopyran-4-carboxylate - CAS 1248324-93-7
Catalog: |
BB005998 |
Product Name: |
Ethyl 4-Aminotetrahydrothiopyran-4-carboxylate |
CAS: |
1248324-93-7 |
Synonyms: |
4-amino-4-thianecarboxylic acid ethyl ester; ethyl 4-aminothiane-4-carboxylate |
IUPAC Name: | ethyl 4-aminothiane-4-carboxylate |
Description: | Ethyl 4-Aminotetrahydrothiopyran-4-carboxylate (CAS# 1248324-93-7) is a useful research chemical. |
Molecular Weight: | 189.28 |
Molecular Formula: | C8H15NO2S |
Canonical SMILES: | CCOC(=O)C1(CCSCC1)N |
InChI: | InChI=1S/C8H15NO2S/c1-2-11-7(10)8(9)3-5-12-6-4-8/h2-6,9H2,1H3 |
InChI Key: | VJPXHHVSQUQQGL-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2014160649-A1 | Hydroxamic acid derivatives as lpxc inhibitors for the treatment of bacterial infections | 20130329 |
TW-201345908-A | A pyrazolo [1,5-a] pyrimidine compound | 20060705 |
TW-I419889-B | A pyrazolo [1,5-a] pyrimidine compound | 20060705 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.08234989 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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