Cas no 4923-91-5 (2,3-dimethylbenzothiophene)
2,3-dimethylbenzothiophene structure
Product Name:2,3-dimethylbenzothiophene
2,3-dimethylbenzothiophene Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethylbenzothiophene
- 2,3-dimethyl-1-benzothiophene
- 2,3-DIFLUORO-1-PROPOXYBENZENE
- 2,3-dimethyl-benzothiophene
- 2,3-Dimethylbenzothiophene1000μg
- Benzothiophene, 2,3-dimethyl
- AKOS006274445
- 2,3-Dimethylbenzo(b)thiophene
- 2,3-Dimethylbenzo[b]thiophene
- 4923-91-5
- DIMETHYLBENZOTHIOPHENE
- 8-(4-Hydroxyphenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- ACHMHHCOSAKQSS-UHFFFAOYSA-N
- SCHEMBL144440
- Benzo(b)thiophene, 2,3-dimethyl-
- InChI=1/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H
- benzo[b]thiophene, 2,3-dimethyl-
- DTXSID60197743
-
- Inchi： 1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3
- InChI Key： ACHMHHCOSAKQSS-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 162.05000
- 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: 28.24000
- LogP: 3.51810
2,3-dimethylbenzothiophene Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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