Cas no 2824-31-9 (Carbonodithioic acid,O-(2-ethylhexyl) ester, potassium salt (9CI))
2824-31-9 structure
Product Name:Carbonodithioic acid,O-(2-ethylhexyl) ester, potassium salt (9CI)
CAS No:2824-31-9
MF:C9H17KOS2
MW:244.458981275558
CID:281926
PubChem ID:23680707
Update Time:2025-04-19
Carbonodithioic acid,O-(2-ethylhexyl) ester, potassium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbonodithioic acid,O-(2-ethylhexyl) ester, potassium salt (9CI)
- potassium,2-ethylhexoxymethanedithioate
- Potassium O-(2-ethylhexyl)dithiocarbonate
- NS00048787
- DTXSID10950961
- Potassium O-(2-ethylhexyl) dithiocarbonate
- SCHEMBL1913952
- Potassium O-(2-ethylhexyl) carbonodithioate
- EINECS 220-582-1
- 2824-31-9
-
- Inchi： 1S/C9H18OS2.K/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H,11,12);/q;+1/p-1
- InChI Key： MBPCIOPMOKXKRD-UHFFFAOYSA-M
- SMILES： [K+].[S-]C(OCC(CC)CCCC)=S
Computed Properties
- Exact Mass: 244.03591
- Monoisotopic Mass: 244.035788
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 131
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.3
Experimental Properties
- Boiling Point: 245.8°Cat760mmHg
- Flash Point: 102.4°C
- PSA: 9.23
Carbonodithioic acid,O-(2-ethylhexyl) ester, potassium salt (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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