Cas no 70021-46-4 (Benzo[b]thiophene,pentamethyl- (9CI))
![Benzo[b]thiophene,pentamethyl- (9CI) structure](https://ossimg.kuujia.com/scimg/70500/70021-46-4x500.png)
70021-46-4 structure
Product Name:Benzo[b]thiophene,pentamethyl- (9CI)
CAS No:70021-46-4
MF:C13H16S
MW:204.331142425537
CID:574249
PubChem ID:188083
Update Time:2025-04-19
Benzo[b]thiophene,pentamethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene,pentamethyl- (9CI)
- 2,3,4,5,6-pentamethyl-1-benzothiophene
- 70021-46-4
- SCHEMBL2388293
- DTXSID20220309
- Benzo(b)thiophene, pentamethyl-
- Pentamethylbenzo(b)thiophene
-
- Inchi： 1S/C13H16S/c1-7-6-12-13(9(3)8(7)2)10(4)11(5)14-12/h6H,1-5H3
- InChI Key： BFUKZIOWQZWADF-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C)C2=C1C=C(C)C(C)=C2C
Computed Properties
- Exact Mass: 204.09738
- Monoisotopic Mass: 204.097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 213
- 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: 4.8
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- Density: 1.051
- Boiling Point: 334.9°C at 760 mmHg
- Flash Point: 116°C
- Refractive Index: 1.601
- PSA: 0
Benzo[b]thiophene,pentamethyl- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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