Cas no 146137-90-8 (Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester)
![Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester structure](https://ossimg.kuujia.com/scimg/146500/146137-90-8x500.png)
146137-90-8 structure
Product Name:Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester
CAS No:146137-90-8
MF:C10H7IO2S
MW:318.130853891373
CID:101325
PubChem ID:19007488
Update Time:2025-04-18
Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester
- 5-iodo-Benzo[b]thiophene-2-carboxylic acid methyl ester
- methyl 5-iodo-1-benzothiophene-2-carboxylate
- methyl 5-iodobenzo[b]thiophene-2-carboxylate
- HEGKKJCDOJECPN-UHFFFAOYSA-N
- 146137-90-8
- 5-IODO-BENZO[B]THIOPHENE-2-CARBOXYLICACIDMETHYLESTER
- methyl 5-iodo-benzo[b]thiophene-2-carboxylate
- methyl 5-iodobenzo[b]thiophen-2-carboxylate
- FT-0765863
- methyl5-iodobenzo[b]thiophene-2-carboxylate
- DTXSID20597326
- SCHEMBL4477252
-
- Inchi： 1S/C10H7IO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
- InChI Key： HEGKKJCDOJECPN-UHFFFAOYSA-N
- SMILES： IC1C=CC2=C(C=1)C=C(C(=O)OC)S2
Computed Properties
- Exact Mass: 317.92071
- Monoisotopic Mass: 317.92115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 3.8
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
Benzo[b]thiophene-2-carboxylicacid, 5-iodo-, methyl ester Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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