Cas no 101167-08-2 (Benzene, 1-chloro-4-(propylsulfonyl)-)
101167-08-2 structure
Product Name:Benzene, 1-chloro-4-(propylsulfonyl)-
CAS No:101167-08-2
MF:C9H11ClO2S
MW:218.700440645218
CID:1128039
PubChem ID:21041456
Update Time:2025-04-20
Benzene, 1-chloro-4-(propylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-(propylsulfonyl)-
- 1-chloro-4-(propylsulfonyl)Benzene
- 1-chloro-4-propylsulfonylbenzene
- 1-Chloro-4-(propylsulfonyl)-benzene
- JUTHAQSZBVIJPB-UHFFFAOYSA-N
- 101167-08-2
- SCHEMBL1368829
- 1-Chloro-4-(propane-1-sulfonyl)benzene
- DTXSID10610316
- DA-29555
-
- Inchi： 1S/C9H11ClO2S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
- InChI Key： JUTHAQSZBVIJPB-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)S(CCC)(=O)=O
Computed Properties
- Exact Mass: 218.0168285g/mol
- Monoisotopic Mass: 218.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 2.6
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 42.52000
- LogP: 3.60450
Benzene, 1-chloro-4-(propylsulfonyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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