3-Cyanosulfolane - CAS 17389-09-2
Catalog: |
BB066728 |
Product Name: |
3-Cyanosulfolane |
CAS: |
17389-09-2 |
Synonyms: |
Tetrahydro-3-thiophenecarbonitrile 1,1-dioxide; 1,1-Dioxo-1lambda6-thiolane-3-carbonitrile |
IUPAC Name: | 1,1-dioxothiolane-3-carbonitrile |
Description: | 3-Cyanosulfolane can be used as a nonaqueous electrolyte additive comprising lithium salt. |
Molecular Weight: | 145.17 |
Molecular Formula: | C5H7NO2S |
Canonical SMILES: | C1CS(=O)(=O)CC1C#N |
InChI: | InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2 |
InChI Key: | CHNZCZASRHSRAC-UHFFFAOYSA-N |
Melting Point: | 117 - 119°C |
Solubility: | Chloroform (Slightly, Sonicated), DMSO (Sparingly, Sonicated), Methanol (Slightl |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Fujimoto, S., et.al. WIPO WO2019031452 A1, (2019). |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.01974964 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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