Cas no 54732-85-3 (Propanoic acid,3-(ethylthio)-, 3-(ethylthio)propyl ester)
54732-85-3 structure
Product Name:Propanoic acid,3-(ethylthio)-, 3-(ethylthio)propyl ester
CAS No:54732-85-3
MF:C10H20O2S2
MW:236.394600868225
CID:381328
PubChem ID:225966
Update Time:2025-04-19
Propanoic acid,3-(ethylthio)-, 3-(ethylthio)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(ethylthio)-, 3-(ethylthio)propyl ester
- 3-ethylsulfanylpropyl 3-ethylsulfanylpropanoate
- 3-(ethylsulfanyl)propyl 3-(ethylsulfanyl)propanoate
- AC1L5EF9
- AC1Q67NK
- AG-J-09389
- AR-1E7698
- CTK5A2496
- NSC15884
- NSC-15884
- 54732-85-3
- DTXSID20280201
-
- Inchi： 1S/C10H20O2S2/c1-3-13-8-5-7-12-10(11)6-9-14-4-2/h3-9H2,1-2H3
- InChI Key： CWSIDLVZHJKUTE-UHFFFAOYSA-N
- SMILES： S(CC)CCCOC(CCSCC)=O
Computed Properties
- Exact Mass: 236.09000
- Monoisotopic Mass: 236.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 140
- 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: 2.4
- Topological Polar Surface Area: 76.9?2
Experimental Properties
- Density: 1.05
- Boiling Point: 338.3°C at 760 mmHg
- Flash Point: 154.1°C
- Refractive Index: 1.499
- PSA: 76.90000
- LogP: 2.81600
Propanoic acid,3-(ethylthio)-, 3-(ethylthio)propyl ester Related Literature
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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