Cas no 10596-56-2 (Dithiocarbonic acid S,S-dipropyl ester)
10596-56-2 structure
Product Name:Dithiocarbonic acid S,S-dipropyl ester
CAS No:10596-56-2
MF:C7H14OS2
MW:178.315459728241
CID:2657204
PubChem ID:536266
Update Time:2025-04-21
Dithiocarbonic acid S,S-dipropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dithiocarbonic acid S,S-dipropyl ester
- S,S-Di(n-propyl) dithiocarbonate
- 10596-56-2
- CHYITTURCHAELS-UHFFFAOYSA-N
- bis(propylsulfanyl)methanone
- S,S-dipropyl carbonodithioate
- SCHEMBL10609070
- Carbonic acid, dithio-, S,S-dipropyl ester
- S,S-Dipropyl dithiocarbonate #
-
- Inchi： 1S/C7H14OS2/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3
- InChI Key： CHYITTURCHAELS-UHFFFAOYSA-N
- SMILES： S(C(=O)SCCC)CCC
Computed Properties
- Exact Mass: 178.04860741g/mol
- Monoisotopic Mass: 178.04860741g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 83.6
- 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: 3.4
- Topological Polar Surface Area: 67.7?2
Dithiocarbonic acid S,S-dipropyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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