Cas no 6939-25-9 (3-tert-butyloxadiazol-3-ium-5-olate)
6939-25-9 structure
Product Name:3-tert-butyloxadiazol-3-ium-5-olate
CAS No:6939-25-9
MF:C6H10N2O2
MW:142.155801296234
CID:1736641
PubChem ID:151444
Update Time:2025-04-21
3-tert-butyloxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-tert-butyloxadiazol-3-ium-5-olate
- AC1L46CF
- 3-tert-Butylsydnone
- Sydnone, 3-tert-butyl-
- 3-(1,1-dimethylethyl)sydnone
- Sydnone,1-dimethylethyl)-
- SureCN5906639
- Sydnone, 3-(1,1-dimethylethyl)-
- 3-(t-butyl)sydnone
- N-tert-Butylsydnone
- 3-tert.-Butyl-sydnon
- N-tert.Butylsydnon
- BRN 4135081
- 3-tert-butyl-sydnone
- 3-tert-Butyl-sydnon
- 3-tert.-Butyl-sydnon;N-tert.Butylsydnon;Sydnone,3-tert-butyl;3-tert-Butylsydnone;N-tert-Butylsydnone;Sydnone,1-dimethylethyl);
- 3-t-butylsydnone
- NSC 56795
- 6939-25-9
- NSC-56795
- 3-(1,1-dimethylethyl)-sydnone
- DTXSID90219503
- SCHEMBL5906639
- NSC56795
-
- Inchi: 1S/C6H10N2O2/c1-6(2,3)8-4-5(9)10-7-8/h4H,1-3H3
- InChI Key: YPJWMANOXFBBFC-UHFFFAOYSA-N
- SMILES: O1C(=C[N+](C(C)(C)C)=N1)[O-]
Computed Properties
- Exact Mass: 142.07400
- Monoisotopic Mass: 142.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 121
- 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: 2.1
- Topological Polar Surface Area: 53?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 52.97000
- LogP: 0.86090
3-tert-butyloxadiazol-3-ium-5-olate Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
6939-25-9 (3-tert-butyloxadiazol-3-ium-5-olate) Related Products
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