2-Cyano-3,3-bis(methylthio)acrylic Acid - CAS 128012-44-2
Catalog: |
BB006853 |
Product Name: |
2-Cyano-3,3-bis(methylthio)acrylic Acid |
CAS: |
128012-44-2 |
Synonyms: |
2-cyano-3,3-bis(methylthio)-2-propenoic acid; 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid |
IUPAC Name: | 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid |
Description: | 2-Cyano-3,3-bis(methylthio)acrylic Acid (CAS# 128012-44-2 ) is a useful research chemical. |
Molecular Weight: | 189.26 |
Molecular Formula: | C6H7NO2S2 |
Canonical SMILES: | CSC(=C(C#N)C(=O)O)SC |
InChI: | InChI=1S/C6H7NO2S2/c1-10-6(11-2)4(3-7)5(8)9/h1-2H3,(H,8,9) |
InChI Key: | XPEPYRAFQCAOPI-UHFFFAOYSA-N |
LogP: | 1.53218 |
Publication Number | Title | Priority Date |
US-2019151295-A1 | Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides | 20171117 |
WO-2019099926-A1 | Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides | 20171117 |
EP-3710443-A1 | Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides | 20171117 |
US-11065231-B2 | Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides | 20171117 |
AU-2017382029-A1 | Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-kinase inhibitors | 20161221 |
PMID | Publication Date | Title | Journal |
21581005 | 20081018 | (E)-Ethyl 2-cyano-2-(thia-zolidin-2-yl-idene)acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.99182081 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.99182081 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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