Cas no 65986-52-9 (2,7-Dibromo-3,8-dimethylthianthrene)
65986-52-9 structure
Product Name:2,7-Dibromo-3,8-dimethylthianthrene
CAS No:65986-52-9
MF:C14H10Br2S2
MW:402.167199611664
CID:2795080
PubChem ID:20374553
Update Time:2025-04-21
2,7-Dibromo-3,8-dimethylthianthrene Chemical and Physical Properties
Names and Identifiers
-
- 65986-52-9
- 2,7-DIBROMO-3,8-DIMETHYLTHIANTHRENE
- DTXSID80606347
- SCHEMBL11593262
- 2,7-Dibromo-3,8-dimethylthianthrene
-
- Inchi： 1S/C14H10Br2S2/c1-7-3-11-13(5-9(7)15)18-12-4-8(2)10(16)6-14(12)17-11/h3-6H,1-2H3
- InChI Key： MXGGWAJEZSIYGP-UHFFFAOYSA-N
- SMILES： BrC1=CC2=C(C=C1C)SC1C=C(C(C)=CC=1S2)Br
Computed Properties
- Exact Mass: 401.85702Da
- Monoisotopic Mass: 399.85907Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 282
- 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: 6.2
- Topological Polar Surface Area: 50.6?2
2,7-Dibromo-3,8-dimethylthianthrene Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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