Cas no 88339-48-4 (Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)-)
88339-48-4 structure
Product Name:Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)-
CAS No:88339-48-4
MF:C12H16OS
MW:208.319842338562
CID:636603
PubChem ID:71408999
Update Time:2025-04-19
Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)-
- 2,3,5,6-tetramethyl-4-methylsulfanylbenzaldehyde
- 88339-48-4
- DTXSID50828771
- 2,3,5,6-Tetramethyl-4-(methylsulfanyl)benzaldehyde
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- Inchi： 1S/C12H16OS/c1-7-9(3)12(14-5)10(4)8(2)11(7)6-13/h6H,1-5H3
- InChI Key： KDXVOTRAZWSPCZ-UHFFFAOYSA-N
- SMILES： S(C)C1=C(C)C(C)=C(C=O)C(C)=C1C
Computed Properties
- Exact Mass: 208.09218630g/mol
- Monoisotopic Mass: 208.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 189
- 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: 3.4
- Topological Polar Surface Area: 42.4?2
Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)- Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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