Cas no 61336-53-6 (Thiophene, 3-(dimethoxymethyl)-)
61336-53-6 structure
Product Name:Thiophene, 3-(dimethoxymethyl)-
CAS No:61336-53-6
MF:C7H10O2S
MW:158.218101024628
CID:483492
PubChem ID:15918138
Update Time:2025-04-19
Thiophene, 3-(dimethoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 3-(dimethoxymethyl)-
- 3-(dimethoxymethyl)thiophene
- 3-thiophenecarboxaldehyde dimethylacetal
- DTXSID60579545
- 61336-53-6
- SSXDJHBUYFUCQH-UHFFFAOYSA-N
- 3-thiophenecarboxaldehyde dimethyl acetal
- 3-dimethoxymethylthiophene
- Thiophene-3-carboxaldehyde Dimethyl Acetal
- SCHEMBL7368012
-
- Inchi： 1S/C7H10O2S/c1-8-7(9-2)6-3-4-10-5-6/h3-5,7H,1-2H3
- InChI Key： SSXDJHBUYFUCQH-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C(OC)OC
Computed Properties
- Exact Mass: 158.0402
- Monoisotopic Mass: 158.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 93.6
- 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: 1.2
- Topological Polar Surface Area: 46.7?2
Experimental Properties
- PSA: 18.46
Thiophene, 3-(dimethoxymethyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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