Cas no 18853-41-3 (2,4-Thiophenedicarbonitrile)
2,4-Thiophenedicarbonitrile structure
Product Name:2,4-Thiophenedicarbonitrile
CAS No:18853-41-3
MF:C6H2N2S
MW:134.158479213715
CID:1383451
PubChem ID:12280003
Update Time:2025-04-20
2,4-Thiophenedicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Thiophenedicarbonitrile
- thiophene-2,4-dicarbonitrile
- SCHEMBL1992222
- DB-111733
- 18853-41-3
- DTXSID30483943
-
- Inchi： 1S/C6H2N2S/c7-2-5-1-6(3-8)9-4-5/h1,4H
- InChI Key： IZXOWBGBNVBNRE-UHFFFAOYSA-N
- SMILES： S1C=C(C#N)C=C1C#N
Computed Properties
- Exact Mass: 133.99396
- Monoisotopic Mass: 133.99386925g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 194
- 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: 1.4
- Topological Polar Surface Area: 75.8?2
Experimental Properties
- PSA: 47.58
2,4-Thiophenedicarbonitrile Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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