ethyl 2-cyano-2-(1,1-dioxo-1λ⁶-thiolan-3-yl)acetate - CAS 17134-14-4
Catalog: |
BB012736 |
Product Name: |
ethyl 2-cyano-2-(1,1-dioxo-1λ⁶-thiolan-3-yl)acetate |
CAS: |
17134-14-4 |
Synonyms: |
2-cyano-2-(1,1-dioxo-3-thiolanyl)acetic acid ethyl ester; ethyl 2-cyano-2-(1,1-dioxothiolan-3-yl)acetate |
IUPAC Name: | ethyl 2-cyano-2-(1,1-dioxothiolan-3-yl)acetate |
Description: | ethyl 2-cyano-2-(1,1-dioxo-1λ⁶-thiolan-3-yl)acetate (CAS# 17134-14-4) is a useful research chemical. |
Molecular Weight: | 231.266 |
Molecular Formula: | C9H13NO4S |
Canonical SMILES: | CCOC(=O)C(C#N)C1CCS(=O)(=O)C1 |
InChI: | InChI=1S/C9H13NO4S/c1-2-14-9(11)8(5-10)7-3-4-15(12,13)6-7/h7-8H,2-4,6H2,1H3 |
InChI Key: | URGBZEUFVCDDMN-UHFFFAOYSA-N |
LogP: | 1.20478 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.05652907 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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