Cas no 26420-00-8 (diethyl (thien-2-ylmethyl)malonate)
26420-00-8 structure
Product Name:diethyl (thien-2-ylmethyl)malonate
CAS No:26420-00-8
MF:C12H16O4S
MW:256.318042755127
CID:2131133
PubChem ID:14952882
Update Time:2025-04-21
diethyl (thien-2-ylmethyl)malonate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (thien-2-ylmethyl)malonate
- AKOS018014507
- DB-297161
- 1,3-diethyl 2-[(thiophen-2-yl)methyl]propanedioate
- Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-diethyl ester
- YUIMZHKEFMSQNA-UHFFFAOYSA-N
- DTXSID101258702
- 1,3-Diethyl 2-(2-thienylmethyl)propanedioate
- diethyl 2-(thiophen-2-ylmethyl)propanedioate
- SCHEMBL7450943
- 26420-00-8
- Diethyl (2-thienylmethyl)malonate
-
- Inchi： 1S/C12H16O4S/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h5-7,10H,3-4,8H2,1-2H3
- InChI Key： YUIMZHKEFMSQNA-UHFFFAOYSA-N
- SMILES： S1C=CC=C1CC(C(=O)OCC)C(=O)OCC
Computed Properties
- Exact Mass: 256.07693016Da
- Monoisotopic Mass: 256.07693016Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 249
- 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: 2.6
- Topological Polar Surface Area: 80.8?2
diethyl (thien-2-ylmethyl)malonate Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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