Cas no 88339-55-3 (Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-)
88339-55-3 structure
Product Name:Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-
CAS No:88339-55-3
MF:C11H14OS
MW:194.293262004852
CID:636596
PubChem ID:56997482
Update Time:2025-04-19
Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-trimethyl-3-methylsulfanylbenzaldehyde
- Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-
- 2,4,6-Trimethyl-3-(methylsulfanyl)benzaldehyde
- SCHEMBL10680230
- 88339-55-3
- DTXSID50720024
-
- Inchi： 1S/C11H14OS/c1-7-5-8(2)11(13-4)9(3)10(7)6-12/h5-6H,1-4H3
- InChI Key： UXEKJIWCJGVYRL-UHFFFAOYSA-N
- SMILES： S(C)C1=C(C)C=C(C)C(C=O)=C1C
Computed Properties
- Exact Mass: 194.07653624g/mol
- Monoisotopic Mass: 194.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 181
- 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
- Topological Polar Surface Area: 42.4?2
Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
88339-55-3 (Benzaldehyde, 2,4,6-trimethyl-3-(methylthio)-) Related Products
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