Cas no 70546-97-3 ( )
structure
Product Name:
CAS No:70546-97-3
MF:CH4BaO6S2
MW:313.495854377747
CID:975305
PubChem ID:54611525
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- barium(2+),methanedisulfonic acid
- barium methanedisulfonate
- Barium-methandisulfonat
- NSC112727
- 70546-97-3
- NSC-112727
- barium(2+);methanedisulfonic acid
- DTXSID20715381
- AUZHGKYBPSSMEA-UHFFFAOYSA-N
-
-
- Inchi： 1S/CH4O6S2.Ba/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);/q;+2
- InChI Key： AUZHGKYBPSSMEA-UHFFFAOYSA-N
- SMILES： [Ba+2].S(CS(=O)(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 313.85000
- Monoisotopic Mass: 313.850177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 126?2
Experimental Properties
- PSA: 125.50000
- LogP: 0.88110
Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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