Cas no 126190-14-5 (2,3-Dibromobenzene-1-thiol)
2,3-Dibromobenzene-1-thiol structure
Product Name:2,3-Dibromobenzene-1-thiol
CAS No:126190-14-5
MF:C6H4Br2S
MW:267.968958854675
CID:2762187
PubChem ID:14581756
Update Time:2025-04-21
2,3-Dibromobenzene-1-thiol Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL1951804
- 2,3-Dibromobenzene-1-thiol
- 126190-14-5
- DTXSID60561905
-
- Inchi： 1S/C6H4Br2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChI Key： NQPQDEPVFYQVMC-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CC=1S)Br
Computed Properties
- Exact Mass: 267.83800Da
- Monoisotopic Mass: 265.84005Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 97.1
- 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: 3.5
- Topological Polar Surface Area: 1?2
2,3-Dibromobenzene-1-thiol Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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