Cas no 138328-48-0 (4-(Bromosulfanyl)phenol)
4-(Bromosulfanyl)phenol structure
Product Name:4-(Bromosulfanyl)phenol
CAS No:138328-48-0
MF:C6H5BrOS
MW:205.072299718857
CID:2772872
PubChem ID:19006344
Update Time:2025-04-21
4-(Bromosulfanyl)phenol Chemical and Physical Properties
Names and Identifiers
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- 138328-48-0
- DTXSID40597308
- 4-(Bromosulfanyl)phenol
- SCHEMBL8568584
-
- Inchi： 1S/C6H5BrOS/c7-9-6-3-1-5(8)2-4-6/h1-4,8H
- InChI Key： TXECBAGWNZMHKK-UHFFFAOYSA-N
- SMILES： BrSC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 203.92445g/mol
- Monoisotopic Mass: 203.92445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 81.1
- 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: 2.6
- Topological Polar Surface Area: 45.5?2
4-(Bromosulfanyl)phenol Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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