Cas no 5393-04-4 (Saccharin Copper Deriv.)
Saccharin Copper Deriv. structure
Product Name:Saccharin Copper Deriv.
CAS No:5393-04-4
MF:C7H5CuNO3S
MW:246.730501890182
CID:939349
PubChem ID:22111443
Update Time:2025-04-19
Saccharin Copper Deriv. Chemical and Physical Properties
Names and Identifiers
-
- Saccharin Copper Deriv.
- 4H-thiochromen-4-one 1,1-dioxide; 1-thiochromone 1,1-dioxide; InChI=1/C9H6O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-6; 4H-1-benzothiopyran-4-one, 1,1-dioxide; 4H-1-Benzothiopyran-4-one-1,1-dioxide; copper(II) saccharinate; 4H-1-Benzothiopyran-4-on-1,1-dioxid; [Cu(saccharinate)2]; CHEMBL353507; 4H-1-Benzothiopyran-4-one 1,1-dioxide; AC1L3I2N; Cu(saccharinate)2; thiochromone-1,1-dioxide;
- NSC-5731
- 1, 1,1-dioxide, copper(2+) salt
- NSC5731
- 5393-04-4
-
- Inchi： 1S/C7H5NO3S.Cu/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+2
- InChI Key： GZSPPZFRBXFREF-UHFFFAOYSA-N
- SMILES： [Cu+2].S1(C2C=CC=CC=2C(N1)=O)(=O)=O
Computed Properties
- Exact Mass: 282.17336
- Monoisotopic Mass: 245.928615
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 303
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.6
Experimental Properties
- Density: 1.13
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.602
- PSA: 41.46
- LogP: 1.52580
Saccharin Copper Deriv. Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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