4-(2-aminoethyl)-1λ⁶-thiane-1,1-dione hydrochloride - CAS 1354951-86-2
Catalog: |
BB008203 |
Product Name: |
4-(2-aminoethyl)-1λ⁶-thiane-1,1-dione hydrochloride |
CAS: |
1354951-86-2 |
Synonyms: |
2-(1,1-dioxo-4-thianyl)ethanamine;hydrochloride; 2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride |
IUPAC Name: | 2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride |
Description: | 4-(2-aminoethyl)-1λ⁶-thiane-1,1-dione hydrochloride (CAS# 1354951-86-2) is a useful research chemical. |
Molecular Weight: | 213.72 |
Molecular Formula: | C7H16ClNO2S |
Canonical SMILES: | C1CS(=O)(=O)CCC1CCN.Cl |
InChI: | InChI=1S/C7H15NO2S.ClH/c8-4-1-7-2-5-11(9,10)6-3-7;/h7H,1-6,8H2;1H |
InChI Key: | BKYZAPVJDNRLAV-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2016326864-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150922 |
CA-2998545-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150922 |
EP-3353162-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150922 |
US-10370356-B2 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150922 |
US-2018282301-A1 | Pyridinone dicarboxamide for use as bromodomain inhibitors | 20150922 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0590276 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0590276 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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