Cas no 56772-86-2 (2-Propenal, 3-(ethylthio)-)
2-Propenal, 3-(ethylthio)- structure
Product Name:2-Propenal, 3-(ethylthio)-
CAS No:56772-86-2
MF:C5H8OS
MW:116.181420326233
CID:347860
PubChem ID:71444522
Update Time:2025-04-19
2-Propenal, 3-(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal, 3-(ethylthio)-
- 3-ethylsulfanylprop-2-enal
- DTXSID60853291
- 56772-86-2
- 3-(ETHYLSULFANYL)PROP-2-ENAL
-
- Inchi： 1S/C5H8OS/c1-2-7-5-3-4-6/h3-5H,2H2,1H3
- InChI Key： GTNILMFLRNESAQ-UHFFFAOYSA-N
- SMILES： S(C=CC=O)CC
Computed Properties
- Exact Mass: 116.02964
- Monoisotopic Mass: 116.02958605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 68.5
- 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: 0.8
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Propenal, 3-(ethylthio)- Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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