Cas no 2720-78-7 (Carbonodithioic acid,O-heptyl ester, potassium salt (1:1))
2720-78-7 structure
Product Name:Carbonodithioic acid,O-heptyl ester, potassium salt (1:1)
CAS No:2720-78-7
MF:C8H15KOS2
MW:230.432400941849
CID:257332
PubChem ID:23678027
Update Time:2025-04-19
Carbonodithioic acid,O-heptyl ester, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Carbonodithioic acid,O-heptyl ester, potassium salt (1:1)
- Potassium O-heptyl dithiocarbonate
- potassium,heptoxymethanedithioate
- DTXSID10181672
- SCHEMBL11854383
- 2720-78-7
- AKOS030508160
- EINECS 220-332-1
- NS00050165
-
- Inchi： 1S/C8H16OS2.K/c1-2-3-4-5-6-7-9-8(10)11;/h2-7H2,1H3,(H,10,11);/q;+1/p-1
- InChI Key： UONHJSWTEBJXNB-UHFFFAOYSA-M
- SMILES： [K+].[S-]C(OCCCCCCC)=S
Computed Properties
- Exact Mass: 230.02025
- Monoisotopic Mass: 230.020138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 109
- 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: 42.3
Experimental Properties
- Boiling Point: 231.9°Cat760mmHg
- Flash Point: 94°C
- PSA: 9.23
Carbonodithioic acid,O-heptyl ester, potassium salt (1:1) Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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