Cas no 39743-75-4 (Benzo[b]thiophene,2-(1-methylethyl)-)
![Benzo[b]thiophene,2-(1-methylethyl)- structure](https://ossimg.kuujia.com/scimg/40000/39743-75-4x500.png)
39743-75-4 structure
Product Name:Benzo[b]thiophene,2-(1-methylethyl)-
CAS No:39743-75-4
MF:C11H12S
MW:176.277981758118
CID:320264
PubChem ID:270523
Update Time:2025-04-19
Benzo[b]thiophene,2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene,2-(1-methylethyl)-
- 2-propan-2-yl-1-benzothiophene
- 39743-75-4
- NSC112993
- 2-i-propyl-benzo[b]thiophene
- LPCZLJKNCRRQFN-UHFFFAOYSA-N
- SCHEMBL79534
- 2-isopropyl-benzo[b]thiophene
- 2-(propan-2-yl)-1-benzothiophene
- NSC-112993
- 2-i-Propylbenzo[b]thiophene
- 2-isopropylbenzothiophene
- DTXSID60296982
-
- Inchi： 1S/C11H12S/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3
- InChI Key： LPCZLJKNCRRQFN-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C=C1C(C)C
Computed Properties
- Exact Mass: 176.06606
- Monoisotopic Mass: 176.066
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 4.1
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- Density: 1.08
- Boiling Point: 261°C at 760 mmHg
- Flash Point: 81°C
- Refractive Index: 1.611
- PSA: 0
Benzo[b]thiophene,2-(1-methylethyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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