Cas no 91034-92-3 ( )
structure
Product Name:
CAS No:91034-92-3
MF:C16H14O2S
MW:270.346163272858
CID:995542
PubChem ID:299248
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- 4-dibenzothiophen-2-ylbutanoic acid
- 4-(2-dibenzothienyl)butyric acid
- DTXSID20305822
- NSC-171720
- AKOS024338516
- 2-DIBENZOTHIOPHENEBUTYRIC ACID
- NSC171720
- 2-Dibenzothiophenebutanoic acid
- SCHEMBL9193177
- 91034-92-3
- 4-(dibenzo[b,d]thiophen-2-yl)butanoic acid
-
-
- Inchi： 1S/C16H14O2S/c17-16(18)7-3-4-11-8-9-15-13(10-11)12-5-1-2-6-14(12)19-15/h1-2,5-6,8-10H,3-4,7H2,(H,17,18)
- InChI Key： FMTLTRCPMNZQGB-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=C(C=CC1=2)CCCC(=O)O
Computed Properties
- Exact Mass: 270.071
- Monoisotopic Mass: 270.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 331
- 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: 4.5
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- Density: 1.302
- Boiling Point: 485°C at 760 mmHg
- Flash Point: 247.1°C
- Refractive Index: 1.705
- PSA: 65.54000
- LogP: 4.46180
Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
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
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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