Cas no 91837-36-4 (3H-2,1-Benzoxathiol-3-one, 1-oxide)
91837-36-4 structure
Product Name:3H-2,1-Benzoxathiol-3-one, 1-oxide
CAS No:91837-36-4
MF:C7H4O3S
MW:168.169860839844
CID:1971101
PubChem ID:15961299
Update Time:2025-04-21
3H-2,1-Benzoxathiol-3-one, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3H-2,1-Benzoxathiol-3-one, 1-oxide
- 1-oxo-2,1λ<sup>4</sup>-benzoxathiol-3-one
- DTXCID10531259
- 91837-36-4
- 2,1-benzoxathiol-3-one 1-oxide
- SCHEMBL7522242
- 3H-benzo[c][1,2]oxathiol-3-one 1-oxide
- DTXSID60580494
- 2,1lambda~4~-Benzoxathiole-1,3-dione
-
- Inchi： 1S/C7H4O3S/c8-7-5-3-1-2-4-6(5)11(9)10-7/h1-4H
- InChI Key： ZKWLBCVFJMSPKS-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(=O)O1)=O
Computed Properties
- Exact Mass: 167.98811516g/mol
- Monoisotopic Mass: 167.98811516g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 214
- 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: 1
- Topological Polar Surface Area: 62.6?2
3H-2,1-Benzoxathiol-3-one, 1-oxide Related Literature
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
91837-36-4 (3H-2,1-Benzoxathiol-3-one, 1-oxide) Related Products
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