Cas no 84632-23-5 (4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile)
84632-23-5 structure
Product Name:4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile
CAS No:84632-23-5
MF:C7H7N3OS
MW:181.214979410172
CID:1825270
PubChem ID:150086
Update Time:2025-04-21
4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile
- 4-Thiazolebutanenitrile, 2-amino-gamma-oxo-
- EU06350000
- 1-(4-(2-Aminothiazolyl))-3-cyano-1-propanone
- NIOSH/EU0635000
- DTXSID80233632
- Butyronitrile, 4-oxo-4-(2-amino-4-thiazolyl)-
- 1-Propanone, 1-(4-(2-aminothiazolyl))-3-cyano-
- 84632-23-5
-
- Inchi： 1S/C7H7N3OS/c8-3-1-2-6(11)5-4-12-7(9)10-5/h4H,1-2H2,(H2,9,10)
- InChI Key： DURRODQNMZVBSG-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1)C(CCC#N)=O
Computed Properties
- Exact Mass: 181.03098303g/mol
- Monoisotopic Mass: 181.03098303g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 0.2
- Topological Polar Surface Area: 108?2
4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
84632-23-5 (4-(2-amino-1,3-thiazol-4-yl)-4-oxobutanenitrile) Related Products
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