Cas no 57757-38-7 (2-Propenal, 3-(butylthio)-)
2-Propenal, 3-(butylthio)- structure
Product Name:2-Propenal, 3-(butylthio)-
CAS No:57757-38-7
MF:C7H12OS
MW:144.234580993652
CID:344286
PubChem ID:71443983
Update Time:2025-04-19
2-Propenal, 3-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal, 3-(butylthio)-
- 3-butylsulfanylprop-2-enal
- DTXSID60852784
- 57757-38-7
- 3-(BUTYLSULFANYL)PROP-2-ENAL
-
- Inchi： 1S/C7H12OS/c1-2-3-6-9-7-4-5-8/h4-5,7H,2-3,6H2,1H3
- InChI Key： XHUMYBBUOCMRMO-UHFFFAOYSA-N
- SMILES： S(C=CC=O)CCCC
Computed Properties
- Exact Mass: 144.06096
- Monoisotopic Mass: 144.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 88.9
- 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: 1.7
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Propenal, 3-(butylthio)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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