Cas no 3554-12-9 (Carbonothioic acid, O,S-diethyl ester)
3554-12-9 structure
Product Name:Carbonothioic acid, O,S-diethyl ester
CAS No:3554-12-9
MF:C5H10O2S
MW:134.196700572968
CID:3948485
PubChem ID:480037
Update Time:2025-04-22
Carbonothioic acid, O,S-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonothioic acid, O,S-diethyl ester
- Carbonic acid, thio-, O,S-diethyl ester
- Thiocarbonic acid, O,S-diethyl ester
- ethyl ethylsulfanylformate
- o,s-diethyl thiocarbonate
- SCHEMBL3286933
- 3554-12-9
- WTA77KQF46
- Q27292820
- UNII-WTA77KQF46
-
- Inchi： 1S/C5H10O2S/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
- InChI Key： HXNHJWLEAMYJJI-UHFFFAOYSA-N
- SMILES： C(SCC)(=O)OCC
Computed Properties
- Exact Mass: 134.04015073Da
- Monoisotopic Mass: 134.04015073Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 72.8
- 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: 1.8
- Topological Polar Surface Area: 51.6?2
Carbonothioic acid, O,S-diethyl ester Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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