Cas no 20608-88-2 (Benzoic acid, 2-(3-thienyl)-, methyl ester)
20608-88-2 structure
Product Name:Benzoic acid, 2-(3-thienyl)-, methyl ester
CAS No:20608-88-2
MF:C12H10O2S
MW:218.271602153778
CID:1395314
PubChem ID:20100097
Update Time:2025-04-20
Benzoic acid, 2-(3-thienyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(3-thienyl)-, methyl ester
- AKOS004118612
- DTXSID901265153
- methyl 2-(thiophen-3-yl)benzoate
- Methyl 2-(3-thienyl)benzoate
- 20608-88-2
- PARKTCBUEOYYIP-UHFFFAOYSA-N
- SCHEMBL16875865
-
- Inchi： 1S/C12H10O2S/c1-14-12(13)11-5-3-2-4-10(11)9-6-7-15-8-9/h2-8H,1H3
- InChI Key： PARKTCBUEOYYIP-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C1C=CC=CC=1C(=O)OC
Computed Properties
- Exact Mass: 218.0402
- Monoisotopic Mass: 218.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 3.1
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-(3-thienyl)-, methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
20608-88-2 (Benzoic acid, 2-(3-thienyl)-, methyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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