Cas no 7205-69-8 (Benzene, 1-chloro-4-(ethylsulfinyl)-)
7205-69-8 structure
Product Name:Benzene, 1-chloro-4-(ethylsulfinyl)-
CAS No:7205-69-8
MF:C8H9ClOS
MW:188.674460172653
CID:544647
PubChem ID:11542902
Update Time:2025-04-19
Benzene, 1-chloro-4-(ethylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-(ethylsulfinyl)-
- 1-chloro-4-ethylsulfinylbenzene
- DTXSID20468289
- SCHEMBL7332892
- 7205-69-8
-
- Inchi： 1S/C8H9ClOS/c1-2-11(10)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
- InChI Key： CIFKUJHLRUDFNY-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)S(CC)=O
Computed Properties
- Exact Mass: 188.00637
- Monoisotopic Mass: 188.0062638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- PSA: 17.07
Benzene, 1-chloro-4-(ethylsulfinyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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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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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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