Cas no 1290181-13-3 (4-Thiazolepropanenitrile, beta-oxo-)
1290181-13-3 structure
Product Name:4-Thiazolepropanenitrile, beta-oxo-
CAS No:1290181-13-3
MF:C6H4N2OS
MW:152.173759460449
CID:2123257
Update Time:2023-08-04
4-Thiazolepropanenitrile, beta-oxo- Chemical and Physical Properties
Names and Identifiers
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- 3-oxo-3-(thiazol-4-yl)propanenitrile
- 4-Thiazolepropanenitrile, beta-oxo-
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- Inchi： 1S/C6H4N2OS/c7-2-1-6(9)5-3-10-4-8-5/h3-4H,1H2
- InChI Key： BQMAFMXYDQQGRG-UHFFFAOYSA-N
- SMILES： S1C=NC(=C1)C(CC#N)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 183
- Topological Polar Surface Area: 82
4-Thiazolepropanenitrile, beta-oxo- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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