Cas no 20751-85-3 (5-nitro-1,3-thiazole-2-carbonitrile)
20751-85-3 structure
Product Name:5-nitro-1,3-thiazole-2-carbonitrile
CAS No:20751-85-3
MF:C4HN3O2S
MW:155.134638547897
CID:1396081
PubChem ID:23342951
Update Time:2025-04-20
5-nitro-1,3-thiazole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-nitro-1,3-thiazole-2-carbonitrile
- 5-nitro-2-pyridinecarbonitrile
- 6-Cyano-3-nitropyridine
- 5-nitro-pyridine-2-carbonitrile
- 2-Cyano-5-nitropyridine
- 2-Cyan-5-nitrothiazol
- 5-nitro-thiazole-2-carbonitrile
- PubChem6230
- ACMC-209zwa
- 2-Pyridinecarbonitrile,5-nitro-
- 5-Nitro-pyridin-2-carbonitril
- 5-Nitropicolinonitrile
- 2-cyano-5-nitro-thiazole
- AG-D-05271
- 3-Nitro-6-pyridylcarbonitrile
- 5-nitro-2-pyridinecarbonitrile; 6-Cyano-3-nitropyridine; 5-nitro-pyridine-2-carbonitrile; 2-Cyano-5-nitropyridine; 2-Cyan-5-nitrothiazol; 5-nitro-thiazole-2-carbonitrile; 2-cyano-5-nitropyridine; PubChem6230; ACMC-209zwa; 2-Pyridinecarbonitrile,5-nitro-; 5-Nitro-pyridin-2-carbonitril; 5-Nitropicolinonitrile; 2-cyano-5-nitro-thiazole; AG-D-05271; 3-Nitro-6-pyridylcarbonitrile;
- MFCD17015439
- SCHEMBL11442094
- 20751-85-3
- 5-Nitro-2-thiazolecarbonitrile
-
- Inchi： 1S/C4HN3O2S/c5-1-3-6-2-4(10-3)7(8)9/h2H
- InChI Key： DTFCQYJITNKKDZ-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 154.97903
- Monoisotopic Mass: 154.97894746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 192
- 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: 1.2
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 79.82
5-nitro-1,3-thiazole-2-carbonitrile Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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