3- Hexyl- 2- thioxo- 1, 3- thiazolidin- 4- one - CAS 56347-27-4
Catalog: |
BB064226 |
Product Name: |
3- Hexyl- 2- thioxo- 1, 3- thiazolidin- 4- one |
CAS: |
56347-27-4 |
Synonyms: |
3-Hexyl-2-thioxo-4-thiazolidinone |
IUPAC Name: | 3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
Description: | 3- Hexyl- 2- thioxo- 1, 3- thiazolidin- 4- one is a reagent used in the preparation of rhodanine and semiconductor materials. |
Molecular Weight: | 217.35 |
Molecular Formula: | C9H15NOS2 |
Canonical SMILES: | CCCCCCN1C(=O)CSC1=S |
InChI: | InChI=1S/C9H15NOS2/c1-2-3-4-5-6-10-8(11)7-13-9(10)12/h2-7H2,1H3 |
InChI Key: | LPASVVQQHVDHIG-UHFFFAOYSA-N |
References: | Weissflog, W. et al. J. Prakt. Chem. 326, 457 (1984). |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.05950645 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.05950645 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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