Cas no 141764-76-3 (3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester)
141764-76-3 structure
Product Name:3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
CAS No:141764-76-3
MF:C14H16O3S
MW:264.340043067932
CID:2774476
PubChem ID:11832287
Update Time:2025-04-21
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 141764-76-3
- DTXSID70474178
- 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
- DTXCID30424992
-
- Inchi: 1S/C14H16O3S/c1-3-16-14(15)12-9-13(17-10(12)2)18-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3
- InChI Key: NAGRKMFROPZTOC-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1)C1CC(C(=O)OCC)=C(C)O1
Computed Properties
- Exact Mass: 264.08201554Da
- Monoisotopic Mass: 264.08201554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 60.8?2
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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