2-Thioxo-3-thiazolidinecarboxylic Acid Benzyl Ester - CAS 74058-68-7
Catalog: |
BB057420 |
Product Name: |
2-Thioxo-3-thiazolidinecarboxylic Acid Benzyl Ester |
CAS: |
74058-68-7 |
Synonyms: |
2-Thioxo-3-thiazolidinecarboxylic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl 2-sulfanylidene-1,3-thiazolidine-3-carboxylate |
Description: | Intermediate in the preparation of alkoxycarbonylthiazolethione derivatives. |
Molecular Weight: | 253.34 |
Molecular Formula: | C11H11NO2S2 |
Canonical SMILES: | C1CSC(=S)N1C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C11H11NO2S2/c13-10(12-6-7-16-11(12)15)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
InChI Key: | JWGJIAGILJYTIA-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.02312094 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.02312094 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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