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17823-58-4

17823-58-4 | 2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, ethyl ester

CAS No: 17823-58-4 Catalog No: AG0025UL MDL No:MFCD00143027

Product Description

Catalog Number:
AG0025UL
Chemical Name:
2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, ethyl ester
CAS Number:
17823-58-4
Molecular Formula:
C8H11NO2S2
Molecular Weight:
217.3084
MDL Number:
MFCD00143027
IUPAC Name:
ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
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
SMILES:
CCOC(=O)C(=C(SC)SC)C#N

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.301g/mol
Monoisotopic Mass:
217.023g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Synthesis and antimicrobial activity of novel pyrazolo[3,4-d]pyrimidin derivatives. European journal of medicinal chemistry 20100401
Synthesis of new 2-naphthyl ethers and their protective activities against DNA damage induced by bleomycin-iron. Chemical & pharmaceutical bulletin 20091201
(E)-Ethyl 2-cyano-2-(thia-zolidin-2-yl-idene)acetate. Acta crystallographica. Section E, Structure reports online 20081101

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