Cas no 7714-33-2 (Benzene, [(methylthio)ethynyl]-)
![Benzene, [(methylthio)ethynyl]- structure](https://ossimg.kuujia.com/scimg/8000/7714-33-2x500.png)
7714-33-2 structure
Product Name:Benzene, [(methylthio)ethynyl]-
Benzene, [(methylthio)ethynyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzene, [(methylthio)ethynyl]-
- 7714-33-2
- methyl phenylethynyl sulfide
- DTXSID10348728
- [(methylthio)ethynyl]benzene
- InChI=1/C9H8S/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,1H
- [(methylsulfanyl)ethynyl]benzene
- SCHEMBL10887521
- 2-methylsulfanyl-ethynyl-benzene
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- Inchi： 1S/C9H8S/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,1H3
- InChI Key： UOANPCUVSWEPEO-UHFFFAOYSA-N
- SMILES： S(C)C#CC1C=CC=CC=1
Computed Properties
- Exact Mass: 148.03474
- Monoisotopic Mass: 148.03467143g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 143
- 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: 25.3?2
Experimental Properties
- PSA: 0
Benzene, [(methylthio)ethynyl]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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