Ethyl 2-cyano-3,3-bis(methylthio)acrylate - CAS 17823-58-4
Catalog: |
BB013420 |
Product Name: |
Ethyl 2-cyano-3,3-bis(methylthio)acrylate |
CAS: |
17823-58-4 |
Synonyms: |
ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate |
IUPAC Name: | ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate |
Description: | Ethyl 2-cyano-3,3-bis(methylthio)acrylate (CAS# 17823-58-4) is a useful research chemical. |
Molecular Weight: | 217.31 |
Molecular Formula: | C8H11NO2S2 |
Canonical SMILES: | CCOC(=O)C(=C(SC)SC)C#N |
InChI: | InChI=1S/C8H11NO2S2/c1-4-11-7(10)6(5-9)8(12-2)13-3/h4H2,1-3H3 |
InChI Key: | POABRARINOCORV-UHFFFAOYSA-N |
Boiling Point: | 315.6 °C at 760 mmHg |
Purity: | > 98.0 % (N) |
Density: | 1.216 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Pale yellow powder |
MDL: | MFCD00143027 |
LogP: | 2.01068 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10879668-B1 | Solid state laser with conjugated oligomer active material | 20200309 |
WO-2019066946-A1 | ADHESIVES FOR MICROELECTRONIC HOUSING | 20170929 |
AU-2018222093-A1 | Macrocyclic broad spectrum antibiotics | 20170215 |
EP-3583096-A1 | Macrocyclic broad spectrum antibiotics | 20170215 |
JP-2020507564-A | Macrocyclic broad-spectrum antibiotics | 20170215 |
PMID | Publication Date | Title | Journal |
20096486 | 20100401 | Synthesis and antimicrobial activity of novel pyrazolo[3,4-d]pyrimidin derivatives | European journal of medicinal chemistry |
19952442 | 20091201 | Synthesis of new 2-naphthyl ethers and their protective activities against DNA damage induced by bleomycin-iron | Chemical & pharmaceutical bulletin |
21581005 | 20081018 | (E)-Ethyl 2-cyano-2-(thia-zolidin-2-yl-idene)acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.02312094 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.02312094 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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