Cas no 147792-31-2 (Dibenzothiophene,2-butyl-)
Dibenzothiophene,2-butyl- structure
Product Name:Dibenzothiophene,2-butyl-
CAS No:147792-31-2
MF:C16H16S
MW:240.363243103027
CID:100864
PubChem ID:53446969
Update Time:2025-04-18
Dibenzothiophene,2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene,2-butyl-
- 2-BUTYLDIBENZOTHIOPHENE
- 2-n-Butyldibenzothiophene
- 2-Butyldibenzothiophen
- 2-n-Butyldibenzothiophene500μg
- Dibenzothiophene,2-butyl
- DTXSID30703375
- 3-OXOENANTHICACIDETHYLESTER
- Dibenzothiophene, 2-butyl-
- 147792-31-2
- 12-butyl-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6,10,12-hexaene
- SCHEMBL14798196
- 2-Butyldibenzo[b,d]thiophene
-
- Inchi： 1S/C16H16S/c1-2-3-6-12-9-10-16-14(11-12)13-7-4-5-8-15(13)17-16/h4-5,7-11H,2-3,6H2,1H3
- InChI Key： BEQMTJNPMZQPKZ-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2=C1C=CC(=C2)CCCC
Computed Properties
- Exact Mass: 240.09700
- Monoisotopic Mass: 240.09727168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 250
- 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: 6.3
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.24000
- LogP: 5.39710
Dibenzothiophene,2-butyl- Related Literature
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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