Cas no 113125-79-4 (1-benzothiophene-5,6-dicarbaldehyde)
113125-79-4 structure
Product Name:1-benzothiophene-5,6-dicarbaldehyde
CAS No:113125-79-4
MF:C10H6O2S
MW:190.218441486359
CID:2610084
PubChem ID:13814201
Update Time:2025-04-21
1-benzothiophene-5,6-dicarbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1-benzothiophene-5,6-dicarbaldehyde
- SCHEMBL14178256
- 113125-79-4
- DTXSID10550349
-
- Inchi： 1S/C10H6O2S/c11-5-8-3-7-1-2-13-10(7)4-9(8)6-12/h1-6H
- InChI Key： CIDXSHIUUVXFOD-UHFFFAOYSA-N
- SMILES： S1C=CC2C=C(C=O)C(C=O)=CC1=2
Computed Properties
- Exact Mass: 190.00885060Da
- Monoisotopic Mass: 190.00885060Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 217
- 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: 1.9
- Topological Polar Surface Area: 62.4?2
1-benzothiophene-5,6-dicarbaldehyde Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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