Cas no 106139-97-3 (Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]-)
![Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]- structure](https://ossimg.kuujia.com/scimg/106500/106139-97-3x500.png)
106139-97-3 structure
Product Name:Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]-
CAS No:106139-97-3
MF:C9H11IS2
MW:310.218112230301
CID:1179884
PubChem ID:13758308
Update Time:2025-04-20
Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]-
- 1-iodo-2-(2-methylsulfanylethylsulfanyl)benzene
- 106139-97-3
- DTXSID20548555
- 1-IODO-2-{[2-(METHYLSULFANYL)ETHYL]SULFANYL}BENZENE
-
- Inchi： 1S/C9H11IS2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
- InChI Key： LLNDPKLBBBLDPL-UHFFFAOYSA-N
- SMILES： IC1C=CC=CC=1SCCSC
Computed Properties
- Exact Mass: 309.93433
- Monoisotopic Mass: 309.93469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 119
- 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: 3.7
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 0
Benzene, 1-iodo-2-[[2-(methylthio)ethyl]thio]- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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