Cas no 16883-50-4 (Prop-2-en-1-yl 2-sulfanylpropanoate)
16883-50-4 structure
Product Name:Prop-2-en-1-yl 2-sulfanylpropanoate
CAS No:16883-50-4
MF:C6H10O2S
MW:146.207400798798
CID:2619110
PubChem ID:548368
Update Time:2025-04-21
Prop-2-en-1-yl 2-sulfanylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- prop-2-enyl 2-sulfanylpropanoate
- 2-Mercaptopropionic acid allyl ester
- SCHEMBL4672425
- Allyl 2-sulfanylpropanoate #
- DTXSID80338318
- UTIYASJLWJJSCY-UHFFFAOYSA-N
- 16883-50-4
- Propionic acid, 2-mercapto-, allyl ester
- DTXCID90289403
- Allylester of 2-Mercaptopropionic acid
- Prop-2-en-1-yl 2-sulfanylpropanoate
-
- Inchi： 1S/C6H10O2S/c1-3-4-8-6(7)5(2)9/h3,5,9H,1,4H2,2H3
- InChI Key： UTIYASJLWJJSCY-UHFFFAOYSA-N
- SMILES： SC(C(=O)OCC=C)C
Computed Properties
- Exact Mass: 146.04015073Da
- Monoisotopic Mass: 146.04015073Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 27.3?2
Prop-2-en-1-yl 2-sulfanylpropanoate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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