Cas no 13616-73-4 (Benzaldehyde, 5-methyl-2-(methylthio)-)
13616-73-4 structure
Product Name:Benzaldehyde, 5-methyl-2-(methylthio)-
CAS No:13616-73-4
MF:C9H10OS
MW:166.240101337433
CID:1244808
PubChem ID:13296940
Update Time:2025-04-20
Benzaldehyde, 5-methyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 5-methyl-2-(methylthio)-
- 5-methyl-2-methylsulfanylbenzaldehyde
- 13616-73-4
- 5-Methyl-2-(methylsulfanyl)benzaldehyde
- DTXSID00535468
-
- Inchi： 1S/C9H10OS/c1-7-3-4-9(11-2)8(5-7)6-10/h3-6H,1-2H3
- InChI Key： ORJUTUPXGUUBJO-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(C)=CC=1C=O
Computed Properties
- Exact Mass: 166.04523611g/mol
- Monoisotopic Mass: 166.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 136
- 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: 2.3
- Topological Polar Surface Area: 42.4?2
Benzaldehyde, 5-methyl-2-(methylthio)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
13616-73-4 (Benzaldehyde, 5-methyl-2-(methylthio)-) Related Products
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