Cas no 54664-51-6 (Benzeneethanesulfonylazide, 4-methyl-)
54664-51-6 structure
Product Name:Benzeneethanesulfonylazide, 4-methyl-
CAS No:54664-51-6
MF:C9H11N3O2S
MW:225.267540216446
CID:382440
PubChem ID:3553829
Update Time:2025-04-19
Benzeneethanesulfonylazide, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanesulfonylazide, 4-methyl-
- N-diazo-2-(4-methylphenyl)ethanesulfonamide
- DTXSID80393588
- 54664-51-6
- NSC-209858
- NSC209858
-
- Inchi: 1S/C9H11N3O2S/c1-8-2-4-9(5-3-8)6-7-15(13,14)12-11-10/h2-5H,6-7H2,1H3
- InChI Key: MADPENMEXCSHLO-UHFFFAOYSA-N
- SMILES: S(CCC1C=CC(C)=CC=1)(N=[N+]=[N-])(=O)=O
Computed Properties
- Exact Mass: 225.05733
- Monoisotopic Mass: 225.05719778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.2
- Topological Polar Surface Area: 56.9?2
Experimental Properties
- PSA: 82.9
Benzeneethanesulfonylazide, 4-methyl- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
54664-51-6 (Benzeneethanesulfonylazide, 4-methyl-) Related Products
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