Cas no 105191-42-2 (Benzo[b]thiophene-5-carbonitrile, 2-formyl-)
![Benzo[b]thiophene-5-carbonitrile, 2-formyl- structure](https://ossimg.kuujia.com/scimg/105500/105191-42-2x500.png)
105191-42-2 structure
Product Name:Benzo[b]thiophene-5-carbonitrile, 2-formyl-
CAS No:105191-42-2
MF:C10H5NOS
MW:187.217800855637
CID:1151137
PubChem ID:13567966
Update Time:2025-04-20
Benzo[b]thiophene-5-carbonitrile, 2-formyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-5-carbonitrile, 2-formyl-
- 2-formylbenzo[b]thiophene-5-carbonitrile
- 5-cyanobenzo[b]thiophene-2-carbaldehyde
- 105191-42-2
- SCHEMBL7385105
- WCTIDZVDTNFABJ-UHFFFAOYSA-N
- DTXSID801277319
-
- Inchi： 1S/C10H5NOS/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-4,6H
- InChI Key： WCTIDZVDTNFABJ-UHFFFAOYSA-N
- SMILES： S1C(C=O)=CC2C=C(C#N)C=CC1=2
Computed Properties
- Exact Mass: 247.03037
- Monoisotopic Mass: 187.00918496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 257
- 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: 2.5
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- PSA: 59.32
Benzo[b]thiophene-5-carbonitrile, 2-formyl- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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