Cas no 74626-31-6 (6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate)
74626-31-6 structure
Product Name:6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate
CAS No:74626-31-6
MF:C9H8BrNO4S2
MW:338.198119163513
CID:1768598
PubChem ID:156509
Update Time:2025-04-21
6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate
- 1H-Indol-3-ol, 6-bromo-2-(methylthio)-, hydrogen sulfate (ester)
- C17086
- (6-bromo-2-methylsulfanyl-1H-indol-3-yl) hydrogen sulfate
- Q27151416
- CHEBI:80916
- Tyrindoxyl sulfate
- 74626-31-6
- DTXSID50996126
-
- Inchi： 1S/C9H8BrNO4S2/c1-16-9-8(15-17(12,13)14)6-3-2-5(10)4-7(6)11-9/h2-4,11H,1H3,(H,12,13,14)
- InChI Key： SATFYAMEGITBTG-UHFFFAOYSA-N
- SMILES： CSC1=C(OS(=O)(=O)O)C2C(=CC(=CC=2)Br)N1
Computed Properties
- Exact Mass: 336.90781g/mol
- Monoisotopic Mass: 336.90781g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 372
- 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: 113?2
6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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
74626-31-6 (6-bromo-2-(methylsulfanyl)-1H-indol-3-yl hydrogen sulfate) Related Products
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