Cas no 22865-54-9 (Benzene, 1-bromo-4-[(4-methylphenyl)thio]-)
![Benzene, 1-bromo-4-[(4-methylphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/23000/22865-54-9x500.png)
22865-54-9 structure
Product Name:Benzene, 1-bromo-4-[(4-methylphenyl)thio]-
CAS No:22865-54-9
MF:C13H11BrS
MW:279.195441484451
CID:3915635
PubChem ID:16753527
Update Time:2025-04-22
Benzene, 1-bromo-4-[(4-methylphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4-[(4-methylphenyl)thio]-
- 1-Bromo-4-((4-methylphenyl)thio)benzene
- 22865-54-9
- 1-Bromo-4-[(4-methylphenyl)thio]benzene
- SCHEMBL19382447
- DTXSID801278600
-
- Inchi： 1S/C13H11BrS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,1H3
- InChI Key： RBRKAYZDCVDMHS-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(SC2=CC=C(C)C=C2)C=C1
Computed Properties
- Exact Mass: 277.97648Da
- Monoisotopic Mass: 277.97648Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 179
- 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
- Topological Polar Surface Area: 25.3?2
Benzene, 1-bromo-4-[(4-methylphenyl)thio]- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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