Cas no 51801-03-7 (Benzene, [(1-methylheptyl)sulfonyl]-)
![Benzene, [(1-methylheptyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/52000/51801-03-7x500.png)
51801-03-7 structure
Product Name:Benzene, [(1-methylheptyl)sulfonyl]-
CAS No:51801-03-7
MF:C14H22O2S
MW:254.388283252716
CID:361360
PubChem ID:4049028
Update Time:2025-04-19
Benzene, [(1-methylheptyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [(1-methylheptyl)sulfonyl]-
- octan-2-ylsulfonylbenzene
- (OCTANE-2-SULFONYL)-BENZENE
- AKOS024331967
- 2-octyl phenyl sulfone
- 51801-03-7
- DTXSID10398768
-
- Inchi： 1S/C14H22O2S/c1-3-4-5-7-10-13(2)17(15,16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- InChI Key： PNIHDTDKDYLWPI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C(C)CCCCCC)(=O)=O
Computed Properties
- Exact Mass: 254.13416
- Monoisotopic Mass: 254.134
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 284
- 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: 4.5
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, [(1-methylheptyl)sulfonyl]- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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