Cas no 85111-44-0 ( )
structure
Product Name:
CAS No:85111-44-0
MF:C17H11NS
MW:261.340942621231
CID:990024
PubChem ID:237070
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-benzothiophen-2-yl)quinoline
- 2-benzothienylquinoline
- 85111-44-0
- NCGC00184239-01
- CHEMBL2134265
- NSC-40283
- NCGC00184239-02
- 2-(1-benzothien-2-yl)quinoline
- SCHEMBL2208526
- Quinoline, 2-benzo[b]thien-2-yl-
- AQ-738/42399562
- DTXSID10285043
- Quinoline, 2-(2-thianaphthenyl)-
- NSC40283
- (benzo[b]thiophen-2-yl)quinoline
-
-
- Inchi： 1S/C17H11NS/c1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17/h1-11H
- InChI Key： WIODVQPPNKPCJA-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C=C1C1C=CC2C=CC=CC=2N=1
Computed Properties
- Exact Mass: 261.06100
- Monoisotopic Mass: 261.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 318
- 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: 4.9
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13000
- LogP: 5.11650
Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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