Cas no 1173018-95-5 (ethyl 3-chlorosulfonylthiophene-2-carboxylate)
1173018-95-5 structure
Product Name:ethyl 3-chlorosulfonylthiophene-2-carboxylate
CAS No:1173018-95-5
MF:C7H7ClO4S2
MW:256.696388483047
CID:2615271
PubChem ID:71309292
Update Time:2025-04-21
ethyl 3-chlorosulfonylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-chlorosulfonylthiophene-2-carboxylate
- DTXSID20745820
- DTXCID60696564
- Ethyl 3-(chlorosulfonyl)(2-~13~C)thiophene-2-(~13~C)carboxylate
- 2-Carb-13C-ethoxythiophene-2-13C-3 sulfonyl chloride, 99 atom % 13C, 97% (CP)
- 1173018-95-5
-
- Inchi： 1S/C7H7ClO4S2/c1-2-12-7(9)6-5(3-4-13-6)14(8,10)11/h3-4H,2H2,1H3/i6+1,7+1
- InChI Key： SHWWGFVYWZNBHA-AKZCFXPHSA-N
- SMILES： ClS(C1C=CS[13C]=1[13C](=O)OCC)(=O)=O
Computed Properties
- Exact Mass: 255.9541384Da
- Monoisotopic Mass: 255.9541384Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 308
- 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: 2.2
- Topological Polar Surface Area: 97.1?2
ethyl 3-chlorosulfonylthiophene-2-carboxylate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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