Cas no 88798-28-1 (Propanedioic acid, 2-thienyl-, diethyl ester)
88798-28-1 structure
Product Name:Propanedioic acid, 2-thienyl-, diethyl ester
CAS No:88798-28-1
MF:C11H14O4S
MW:242.291462421417
CID:621351
PubChem ID:15591544
Update Time:2025-04-19
Propanedioic acid, 2-thienyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 2-thienyl-, diethyl ester
- diethyl 2-thiophen-2-ylpropanedioate
- DTXSID30575317
- diethyl-2-(thiophenyl)propane-1,3-dioate
- Diethyl (thiophen-2-yl)propanedioate
- AKOS011682283
- 88798-28-1
- diethyl -2-(thiophenyl)propane-1,3-dioate
- Diethyl 2-(2-thienyl)malonate
- SCHEMBL1432886
- QWLWTXHDWKWZFB-UHFFFAOYSA-N
- diethyl 2-(thiophenyl)propane-1,3-dioate
- Diethyl 2-thienylmalonate
-
- Inchi： 1S/C11H14O4S/c1-3-14-10(12)9(11(13)15-4-2)8-6-5-7-16-8/h5-7,9H,3-4H2,1-2H3
- InChI Key： QWLWTXHDWKWZFB-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(=O)OCC)C(=O)OCC
Computed Properties
- Exact Mass: 242.06128010g/mol
- Monoisotopic Mass: 242.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 236
- 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: 2.3
- Topological Polar Surface Area: 80.8?2
Propanedioic acid, 2-thienyl-, diethyl ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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