Ethyl (2Z)-(4-oxo-1,3-thiazolidin-2-ylidene)acetate - CAS 26312-94-7
Catalog: |
BB048754 |
Product Name: |
Ethyl (2Z)-(4-oxo-1,3-thiazolidin-2-ylidene)acetate |
CAS: |
26312-94-7 |
Synonyms: |
Acetic acid, 2-(4-oxo-2-thiazolidinylidene)-, ethyl ester, (2Z)-; (Z)-ethyl 2-(4-oxothiazolidin-2-ylidene)acetate; ethyl (2Z)-2-(4-oxo-2-thiazolidinylidene)acetate; Acetic acid, 2-(4-oxo-2-thiazolidinylidene)-, ethyl ester, (Z)- |
Related CAS: | 24146-36-9 (rac-isomer)
|
IUPAC Name: | ethyl (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate |
Description: | Ethyl (2Z)-(4-oxo-1,3-thiazolidin-2-ylidene)acetate (CAS# 26312-94-7 ) is a useful research chemical. |
Molecular Weight: | 187.22 |
Molecular Formula: | C7H9NO3S |
Canonical SMILES: | CCOC(=O)C=C1NC(=O)CS1 |
InChI: | InChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h3H,2,4H2,1H3,(H,8,9)/b6-3- |
InChI Key: | GFDHQCVQEZVPRQ-UTCJRWHESA-N |
Boiling Point: | 417.1±45.0 °C (Predicted) |
Melting Point: | 152-153 °C |
Purity: | ≥ 95 % |
Density: | 1.392±0.06 g/cm3 (Predicted) |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 187.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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