Cas no 66304-00-5 (3H-1,2-Benzodithiol-3-one 1-oxide)
66304-00-5 structure
Product Name:3H-1,2-Benzodithiol-3-one 1-oxide
CAS No:66304-00-5
MF:C7H4O2S2
MW:184.235459327698
CID:2795594
PubChem ID:5466364
Update Time:2025-04-21
3H-1,2-Benzodithiol-3-one 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- RFKVIOFDUHRMTD-UHFFFAOYSA-N
- NSC-686574
- NCI60_031238
- 66304-00-5
- NSC686574
- CHEMBL1964318
- 3H-1,2-Benzodithiol-3-one-1-oxide
- 3H-1,2-Benzodithiol-3-one 1-oxide
- 1-oxo-1$l^{4},2-benzodithiol-3-one
- SCHEMBL7693947
- DTXSID20420201
-
- Inchi： 1S/C7H4O2S2/c8-7-5-3-1-2-4-6(5)11(9)10-7/h1-4H
- InChI Key： RFKVIOFDUHRMTD-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(=O)S1)=O
Computed Properties
- Exact Mass: 183.96527171g/mol
- Monoisotopic Mass: 183.96527171g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 215
- 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: 1.1
- Topological Polar Surface Area: 78.6?2
3H-1,2-Benzodithiol-3-one 1-oxide Related Literature
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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