Cas no 88096-51-9 (2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester)
88096-51-9 structure
Product Name:2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester
CAS No:88096-51-9
MF:C7H9NO2S2
MW:203.28185915947
CID:645306
PubChem ID:71410896
Update Time:2025-04-19
2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester
- ethyl 3-cyano-3-methylsulfanyl-2-sulfanylprop-2-enoate
- 88096-51-9
- Ethyl 3-cyano-3-(methylsulfanyl)-2-sulfanylprop-2-enoate
- DTXSID50830551
-
- Inchi： 1S/C7H9NO2S2/c1-3-10-7(9)6(11)5(4-8)12-2/h11H,3H2,1-2H3
- InChI Key： DXUDWVFXZZRVKW-UHFFFAOYSA-N
- SMILES： S(C)C(C#N)=C(C(=O)OCC)S
Computed Properties
- Exact Mass: 203.00747088g/mol
- Monoisotopic Mass: 203.00747088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 251
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 76.4?2
2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
88096-51-9 (2-Propenoic acid, 3-cyano-2-mercapto-3-(methylthio)-, ethyl ester) Related Products
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- 89186-08-3(Thiirenedicarboxylic acid, dimethyl ester)
- 107089-68-9(1,4-Dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile,(8Z)-)
- 62674-20-8(2(5H)-Furanone, 5-methoxy-4-(methylthio)-)
- 10489-75-5(2,3-Dihydro-1,4-dithiino2,3-Cfuran-5,7-dione)
- 88126-83-4(2-Butenedioic acid, 2,3-dithiocyanato-, diethyl ester, (E)-)
- 62674-21-9(2(5H)-Furanone, 5-ethoxy-4-(methylthio)-)
- 61192-84-5(2,5-Furandione, 3-(dodecylthio)-4-methyl-)
- 88319-99-7(2(5H)-Furanone, 5-hexyl-3-(methylthio)-)
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