Cas no 70158-52-0 (dimethyl 3-thienylmalonate)
dimethyl 3-thienylmalonate structure
Product Name:dimethyl 3-thienylmalonate
CAS No:70158-52-0
MF:C9H10O4S
MW:214.238301753998
CID:974684
PubChem ID:12509453
Update Time:2025-04-19
dimethyl 3-thienylmalonate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 3-thienylmalonate
- dimethyl 2-thiophen-3-ylpropanedioate
- 2-thiophen-3-yl-malonic acid dimethyl ester
- dimethyl thien-3-ylmalonate
- Dimethyl (thiophen-3-yl)propanedioate
- starbld0019542
- SCHEMBL5179018
- 70158-52-0
- DTXSID40500837
- Dimethyl 2-(thiophen-3-yl)malonate
- 1,3-DIMETHYL 2-(THIOPHEN-3-YL)PROPANEDIOATE
- NAWKBJDDFVZPNQ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H10O4S/c1-12-8(10)7(9(11)13-2)6-3-4-14-5-6/h3-5,7H,1-2H3
- InChI Key： NAWKBJDDFVZPNQ-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C(C(=O)OC)C(=O)OC
Computed Properties
- Exact Mass: 214.03000
- Monoisotopic Mass: 214.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 213
- 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: 1.5
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 80.84000
- LogP: 1.17770
dimethyl 3-thienylmalonate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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