Cas no 89050-49-7 (Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester)
![Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/89500/89050-49-7x500.png)
89050-49-7 structure
Product Name:Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester
CAS No:89050-49-7
MF:C18H18O4S2
MW:362.463122844696
CID:614353
PubChem ID:13213115
Update Time:2025-04-19
Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester
- ethyl 3-[(4-ethoxycarbonylphenyl)disulfanyl]benzoate
- DTXSID90528420
- Ethyl 3-{[4-(ethoxycarbonyl)phenyl]disulfanyl}benzoate
- 89050-49-7
-
- Inchi： 1S/C18H18O4S2/c1-3-21-17(19)13-8-10-15(11-9-13)23-24-16-7-5-6-14(12-16)18(20)22-4-2/h5-12H,3-4H2,1-2H3
- InChI Key： ULSXQQYRPXHUJG-UHFFFAOYSA-N
- SMILES： S(C1=CC=CC(C(=O)OCC)=C1)SC1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 362.06465140g/mol
- Monoisotopic Mass: 362.06465140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 408
- 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: 4.5
- Topological Polar Surface Area: 103?2
Benzoic acid, 3-[[4-(ethoxycarbonyl)phenyl]dithio]-, ethyl ester Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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