Cas no 53167-81-0 (Dibenzothiophene, 3,7-dinitro-, 5-oxide)
53167-81-0 structure
Product Name:Dibenzothiophene, 3,7-dinitro-, 5-oxide
CAS No:53167-81-0
MF:C12H6N2O5S
MW:290.251441478729
CID:4023709
PubChem ID:15487214
Update Time:2025-04-22
Dibenzothiophene, 3,7-dinitro-, 5-oxide Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene, 3,7-dinitro-, 5-oxide
- AEFDIOODLJMOML-UHFFFAOYSA-N
- SCHEMBL204674
- 3,7-dinitro-dibenzothiophene 5-oxide
- 53167-81-0
-
- Inchi： 1S/C12H6N2O5S/c15-13(16)7-1-3-9-10-4-2-8(14(17)18)6-12(10)20(19)11(9)5-7/h1-6H
- InChI Key： AEFDIOODLJMOML-UHFFFAOYSA-N
- SMILES： C12=CC([N+]([O-])=O)=CC=C1C1=CC=C([N+]([O-])=O)C=C1S2=O
Computed Properties
- Exact Mass: 289.99974247Da
- Monoisotopic Mass: 289.99974247Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 420
- 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: 2.3
- Topological Polar Surface Area: 128?2
Dibenzothiophene, 3,7-dinitro-, 5-oxide Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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