Cas no 146137-94-2 (Benzo[b]thiophene-2-carboxylicacid, 6-iodo-, methyl ester)
![Benzo[b]thiophene-2-carboxylicacid, 6-iodo-, methyl ester structure](https://ossimg.kuujia.com/scimg/146500/146137-94-2x500.png)
146137-94-2 structure
Product Name:Benzo[b]thiophene-2-carboxylicacid, 6-iodo-, methyl ester
CAS No:146137-94-2
MF:C10H7IO2S
MW:318.130853891373
CID:101322
PubChem ID:19007702
Update Time:2025-04-18
Benzo[b]thiophene-2-carboxylicacid, 6-iodo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylicacid, 6-iodo-, methyl ester
- Methyl 6-iodo-1-benzothiophene-2-carboxylate
- 6-iodobenzo[b]thiophene-2-carboxylic acid methyl ester
- 6-IODO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
- ACMC-1BWD3
- AG-D-90325
- CTK4C4826
- KB-248910
- methyl 6-iodobenzo[b]thiophene-2-carboxylate
- SureCN4948300
- DTXSID40597328
- SCHEMBL4948300
- 146137-94-2
-
- Inchi： 1S/C10H7IO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
- InChI Key： HTUQPKOAHNKBRA-UHFFFAOYSA-N
- SMILES： IC1C=CC2C=C(C(=O)OC)SC=2C=1
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, 6-iodo-, methyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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