Cas no 5402-69-7 (propyl 3-(ethylsulfanyl)propanoate)
5402-69-7 structure
Product Name:propyl 3-(ethylsulfanyl)propanoate
CAS No:5402-69-7
MF:C8H16O2S
MW:176.276441574097
CID:939493
PubChem ID:222486
Update Time:2025-04-19
propyl 3-(ethylsulfanyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- propyl 3-(ethylsulfanyl)propanoate
- propyl 3-ethylsulfanylpropanoate
- 5402-69-7
- DTXSID40278625
- NSC8534
- NSC-8534
- SCHEMBL17371400
-
- Inchi： 1S/C8H16O2S/c1-3-6-10-8(9)5-7-11-4-2/h3-7H2,1-2H3
- InChI Key： IDFKQOMCLOEQBB-UHFFFAOYSA-N
- SMILES： S(CC)CCC(=O)OCCC
Computed Properties
- Exact Mass: 176.08718
- Monoisotopic Mass: 176.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- Density: 0.99
- Boiling Point: 239.9°C at 760 mmHg
- Flash Point: 99.2°C
- Refractive Index: 1.461
- PSA: 26.3
- LogP: 2.08280
propyl 3-(ethylsulfanyl)propanoate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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