(5E)-5-(Ethoxymethylene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one - CAS 828299-72-5
Catalog: |
BB048758 |
Product Name: |
(5E)-5-(Ethoxymethylene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one |
CAS: |
828299-72-5 |
Synonyms: |
4-Thiazolidinone, 5-(ethoxymethylene)-3-(2-phenylethyl)-2-thioxo-, (5E)- |
IUPAC Name: | (5E)-5-(ethoxymethylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
Description: | (5E)-5-(Ethoxymethylene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one (CAS# 828299-72-5 ) is a useful research chemical. |
Molecular Weight: | 293.40 |
Molecular Formula: | C14H15NO2S2 |
Canonical SMILES: | CCOC=C1C(=O)N(C(=S)S1)CCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H15NO2S2/c1-2-17-10-12-13(16)15(14(18)19-12)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b12-10+ |
InChI Key: | NOPWLPLYQGXTLE-ZRDIBKRKSA-N |
Boiling Point: | 416.9±55.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 293.05442107 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.05442107 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 86.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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