Cas no 186822-42-4 (Dibenzothiophene, 2,4-dibromo-)
186822-42-4 structure
Product Name:Dibenzothiophene, 2,4-dibromo-
CAS No:186822-42-4
MF:C12H6Br2S
MW:342.049040317535
CID:3834187
PubChem ID:85714516
Update Time:2025-04-22
Dibenzothiophene, 2,4-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene, 2,4-dibromo-
- 2,4-dibromodibenzothiophene
- 2,4-Dibromodibenzo[b,d]thiophene
- SCHEMBL20175699
- 186822-42-4
-
- Inchi： 1S/C12H6Br2S/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-6H
- InChI Key： PNKYJFALBICZKX-UHFFFAOYSA-N
- SMILES： C12=C(Br)C=C(Br)C=C1C1=CC=CC=C1S2
Computed Properties
- Exact Mass: 341.85365Da
- Monoisotopic Mass: 339.85570Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 246
- 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: 5.7
- Topological Polar Surface Area: 28.2?2
Dibenzothiophene, 2,4-dibromo- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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