Cas no 113471-08-2 (3-Thiophenecarbonylchloride, 5-chloro-)
113471-08-2 structure
Product Name:3-Thiophenecarbonylchloride, 5-chloro-
CAS No:113471-08-2
MF:C5H2Cl2OS
MW:181.039778232574
CID:130185
PubChem ID:13664761
Update Time:2025-04-19
3-Thiophenecarbonylchloride, 5-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarbonylchloride, 5-chloro-
- 3-Thiophenecarbonyl chloride, 5-chloro- (9CI)
- 5-chloro-3-Thiophenecarbonyl chloride
- 5-chlorothiophene-3-carbonyl chloride
- 113471-08-2
- SCHEMBL1771714
- DTXSID90546144
-
- Inchi： 1S/C5H2Cl2OS/c6-4-1-3(2-9-4)5(7)8/h1-2H
- InChI Key： DCLHJPCKHFKQGF-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)Cl)=CS1
Computed Properties
- Exact Mass: 179.92046
- Monoisotopic Mass: 179.9203412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 3.1
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
3-Thiophenecarbonylchloride, 5-chloro- Related Literature
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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