Cas no 30057-05-7 (Carbanilic acid,p-(dimethylsulfamoyl)-, cyclooctyl ester (8CI))
30057-05-7 structure
Product Name:Carbanilic acid,p-(dimethylsulfamoyl)-, cyclooctyl ester (8CI)
CAS No:30057-05-7
MF:C17H26N2O4S
MW:354.464343547821
CID:309672
PubChem ID:270140
Update Time:2025-04-19
Carbanilic acid,p-(dimethylsulfamoyl)-, cyclooctyl ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbanilic acid,p-(dimethylsulfamoyl)-, cyclooctyl ester (8CI)
- 30057-05-7
- NSC-112333
- NSC112333
- Cyclooctyl [4-(dimethylsulfamoyl)phenyl]carbamate
- DTXSID70952461
-
- Inchi： 1S/C17H26N2O4S/c1-19(2)24(21,22)16-12-10-14(11-13-16)18-17(20)23-15-8-6-4-3-5-7-9-15/h10-13,15H,3-9H2,1-2H3,(H,18,20)
- InChI Key： XWVJGMBAQATMDH-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)NC(=O)OC1CCCCCCC1)(N(C)C)(=O)=O
Computed Properties
- Exact Mass: 354.16148
- Monoisotopic Mass: 354.161328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 485
- 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
- Topological Polar Surface Area: 84.1
- XLogP3: 3.5
Experimental Properties
- Density: 1.22
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.564
- PSA: 75.71
- LogP: 4.75210
Carbanilic acid,p-(dimethylsulfamoyl)-, cyclooctyl ester (8CI) Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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