Cas no 16587-50-1 (Benzo[b]thiophene, 3,6-dimethyl-)
![Benzo[b]thiophene, 3,6-dimethyl- structure](https://ossimg.kuujia.com/scimg/17000/16587-50-1x500.png)
16587-50-1 structure
Product Name:Benzo[b]thiophene, 3,6-dimethyl-
Benzo[b]thiophene, 3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene, 3,6-dimethyl-
- Benzothiophene, 3,6-dimethyl
- 3,6-dimethyl-1-benzothiophene
- 3,6-Dimethylbenzo[b]thiophene
- PMTCJOMGGOAEBB-UHFFFAOYSA-N
- 3,6-Dimethyl-1-benzothiophene #
- SCHEMBL424317
- 16587-50-1
- DTXSID10344280
-
- Inchi： 1S/C10H10S/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-6H,1-2H3
- InChI Key： PMTCJOMGGOAEBB-UHFFFAOYSA-N
- SMILES： S1C=C(C)C2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 162.0504
- Monoisotopic Mass: 162.05032149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 144
- 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: 28.2?2
Experimental Properties
- PSA: 0
Benzo[b]thiophene, 3,6-dimethyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
16587-50-1 (Benzo[b]thiophene, 3,6-dimethyl-) Related Products
- 216983-03-8(2,4,7-Trimethyldibenzothiophene)
- 31317-15-4(Dibenzothiophene,1,3-dimethyl-)
- 31613-04-4(Dibenzothiophene,3,6-dimethyl-)
- 14315-11-8(4-Methylbenzo[b]thiophene)
- 1207-12-1(4,6-Dimethyldibenzothiophene)
- 1455-18-1(3-Methylbenzothiophene)
- 1964-45-0(3,5-Dimethylbenzobthiophene)
- 31317-18-7(Dibenzothiophene,2,4-dimethyl-)
- 14315-15-2(7-methyl-1-benzothiophene)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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