Cas no 1208080-30-1 (Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate)
![Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate structure](https://ossimg.kuujia.com/scimg/1208500/1208080-30-1x500.png)
1208080-30-1 structure
Product Name:Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate
CAS No:1208080-30-1
MF:C10H8F3IO2S
MW:376.134004592896
CID:1213891
PubChem ID:75406361
Update Time:2025-04-20
Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate
- Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl] benzoate
- 1208080-30-1
- ethyl 3-iodo-5-(trifluoromethylsulfanyl)benzoate
- AKOS017343361
- Ethyl 3-iodo-5-[(trifluoromethyl)thio]benzoate
- DTXSID301250035
-
- Inchi： 1S/C10H8F3IO2S/c1-2-16-9(15)6-3-7(14)5-8(4-6)17-10(11,12)13/h3-5H,2H2,1H3
- InChI Key： AOBHONCODLWGQZ-UHFFFAOYSA-N
- SMILES： IC1C=C(C=C(C(=O)OCC)C=1)SC(F)(F)F
Computed Properties
- Exact Mass: 375.92418g/mol
- Monoisotopic Mass: 375.92418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 273
- 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: 51.6?2
Ethyl 3-iodo-5-[(trifluoromethyl)sulfanyl]benzoate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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