Cas no 15861-48-0 (1-Bromo-2-(phenylsulfanyl)benzene)
15861-48-0 structure
Product Name:1-Bromo-2-(phenylsulfanyl)benzene
CAS No:15861-48-0
MF:C12H9BrS
MW:265.168861150742
CID:2885577
PubChem ID:12386987
Update Time:2025-04-21
1-Bromo-2-(phenylsulfanyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 15861-48-0
- BATOISXASQUNHX-UHFFFAOYSA-
- HS-4628
- InChI=1/C12H9BrS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- 61300-10-5
- 2-Bromophenyl phenyl sulfide
- 1-Bromo-2-(phenylsulfanyl)benzene
- SCHEMBL547713
- DTXSID90495800
- 2-(2-bromophenylthio)benzene
-
- 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: 263.96083Da
- Monoisotopic Mass: 263.96083Da
- 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
1-Bromo-2-(phenylsulfanyl)benzene 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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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