Cas no 64964-19-8 (2-Thiophenecarbonylchloride, 5-butyl-)
64964-19-8 structure
Product Name:2-Thiophenecarbonylchloride, 5-butyl-
CAS No:64964-19-8
MF:C9H11ClOS
MW:202.701040506363
CID:501295
PubChem ID:12326227
Update Time:2025-04-19
2-Thiophenecarbonylchloride, 5-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarbonylchloride, 5-butyl-
- 2-Thiophenecarbonyl chloride, 5-butyl- (9CI)
- 5-butylthiophene-2-carbonyl chloride
- 64964-19-8
- DTXSID10489605
-
- Inchi： 1S/C9H11ClOS/c1-2-3-4-7-5-6-8(12-7)9(10)11/h5-6H,2-4H2,1H3
- InChI Key： BXSHDLDBRXZIPN-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=C(CCCC)S1)=O
Computed Properties
- Exact Mass: 202.02203
- Monoisotopic Mass: 202.0219138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 161
- 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: 4.2
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
2-Thiophenecarbonylchloride, 5-butyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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