Cas no 378781-69-2 (Dibenzothiophene, 4,6-diiodo-)
Dibenzothiophene, 4,6-diiodo- structure
Product Name:Dibenzothiophene, 4,6-diiodo-
CAS No:378781-69-2
MF:C12H6I2S
MW:436.049986362457
CID:3955699
PubChem ID:12007456
Update Time:2025-04-22
Dibenzothiophene, 4,6-diiodo- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene, 4,6-diiodo-
- 4,6-diiododibenzo[b,d]thiophene
- SCHEMBL357116
- 378781-69-2
- 4,6-diiododibenzothiophene
-
- Inchi： 1S/C12H6I2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
- InChI Key： OWLKNRBIFGYQMR-UHFFFAOYSA-N
- SMILES： C12=C(I)C=CC=C1C1=CC=CC(I)=C1S2
Computed Properties
- Exact Mass: 435.82797Da
- Monoisotopic Mass: 435.82797Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 5.6
- Topological Polar Surface Area: 28.2?2
Dibenzothiophene, 4,6-diiodo- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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