Cas no 169248-27-5 (1H-Indole, 2-benzo[b]thien-2-yl-)
![1H-Indole, 2-benzo[b]thien-2-yl- structure](https://ossimg.kuujia.com/scimg/169500/169248-27-5x500.png)
169248-27-5 structure
Product Name:1H-Indole, 2-benzo[b]thien-2-yl-
CAS No:169248-27-5
MF:C16H11NS
MW:249.330242395401
CID:1350371
Update Time:2024-08-17
1H-Indole, 2-benzo[b]thien-2-yl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 2-benzo[b]thien-2-yl-
-
- Inchi： 1S/C16H11NS/c1-3-7-13-11(5-1)9-14(17-13)16-10-12-6-2-4-8-15(12)18-16/h1-10,17H
- InChI Key： VYROXESTDZNROK-UHFFFAOYSA-N
- SMILES： N1C2=C(C=CC=C2)C=C1C1SC2=CC=CC=C2C=1
Computed Properties
- Exact Mass: 249.06133
Experimental Properties
- Density: 1.307±0.06 g/cm3(Predicted)
- Boiling Point: 492.2±20.0 °C(Predicted)
- PSA: 15.79
- pka: 16.63±0.30(Predicted)
1H-Indole, 2-benzo[b]thien-2-yl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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