Cas no 51762-92-6 (9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide)
51762-92-6 structure
Product Name:9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide
CAS No:51762-92-6
MF:C15H10O5S
MW:302.301903247833
CID:361476
PubChem ID:7864904
Update Time:2025-04-19
9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide
- methyl 9,10,10-trioxothioxanthene-3-carboxylate
- DTXSID60428943
- 51762-92-6
- SCHEMBL3151374
-
- Inchi： 1S/C15H10O5S/c1-20-15(17)9-6-7-11-13(8-9)21(18,19)12-5-3-2-4-10(12)14(11)16/h2-8H,1H3
- InChI Key： VBCDCZWIKNMFMI-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(C2C=CC(C(=O)OC)=CC1=2)=O)(=O)=O
Computed Properties
- Exact Mass: 302.0249
- Monoisotopic Mass: 302.02489459g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 547
- 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: 3
- Topological Polar Surface Area: 85.9?2
Experimental Properties
- PSA: 77.51
9H-Thioxanthene-3-carboxylic acid, 9-oxo-, methyl ester, 10,10-dioxide Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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