Cas no 52147-08-7 (1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]-)
![1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/52500/52147-08-7x500.png)
52147-08-7 structure
Product Name:1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]-
CAS No:52147-08-7
MF:C15H7N3S
MW:261.301181077957
CID:360464
PubChem ID:20317771
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]-
- 2-(4-cyanophenyl)sulfanylbenzene-1,3-dicarbonitrile
- 52147-08-7
- DTXSID80605138
- SCHEMBL11638193
- 2-[(4-Cyanophenyl)sulfanyl]benzene-1,3-dicarbonitrile
-
- Inchi： 1S/C15H7N3S/c16-8-11-4-6-14(7-5-11)19-15-12(9-17)2-1-3-13(15)10-18/h1-7H
- InChI Key： GKOMCZMCKFOREC-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C#N)=CC=1)C1C(C#N)=CC=CC=1C#N
Computed Properties
- Exact Mass: 261.03621
- Monoisotopic Mass: 261.03606841g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 428
- 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: 3.1
- Topological Polar Surface Area: 96.7?2
Experimental Properties
- PSA: 71.37
1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
52147-08-7 (1,3-Benzenedicarbonitrile, 2-[(4-cyanophenyl)thio]-) Related Products
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