Cas no 61300-10-5 (Benzene, bromo(phenylthio)-)
Benzene, bromo(phenylthio)- structure
Product Name:Benzene, bromo(phenylthio)-
CAS No:61300-10-5
MF:C12H9BrS
MW:265.168861150742
CID:485184
PubChem ID:12386987
Update Time:2025-04-19
Benzene, bromo(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, bromo(phenylthio)-
- 1-bromo-2-phenylsulfanylbenzene
- 61300-10-5
- 2-(2-bromophenylthio)benzene
- BATOISXASQUNHX-UHFFFAOYSA-
- 15861-48-0
- InChI=1/C12H9BrS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- SCHEMBL547713
- 1-Bromo-2-(phenylsulfanyl)benzene
- A937085
- 2-Bromophenyl phenyl sulfide
- (2-BROMOPHENYL)(PHENYL)SULFANE
- DTXSID90495800
-
- Inchi： 1S/C12H9BrS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- InChI Key： BATOISXASQUNHX-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1SC1C=CC=CC=1
Computed Properties
- Exact Mass: 263.96087
- Monoisotopic Mass: 263.96083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 166
- 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: 4.7
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, bromo(phenylthio)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
61300-10-5 (Benzene, bromo(phenylthio)-) Related Products
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