Cas no 77280-68-3 (4-Thiazolebutanenitrile,g-oxo-)
77280-68-3 structure
Product Name:4-Thiazolebutanenitrile,g-oxo-
CAS No:77280-68-3
MF:C7H6N2OS
MW:166.200339794159
CID:564371
PubChem ID:131767
Update Time:2025-04-19
4-Thiazolebutanenitrile,g-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolebutanenitrile,g-oxo-
- 4-thiazolebutanenitrile, gamma-oxo-
- 1-(4-thiazolyl)-3-cyano-1-propanone
- 4-oxo-4-(1,3-thiazol-4-yl)butanenitrile
- 77280-68-3
- DTXSID40228009
- AKOS006276493
- gamma-Oxo-4-thiazolebutyronitrile
- 4-Thiazolebutyronitrile, gamma-oxo-
- BRN 5505124
-
- Inchi： 1S/C7H6N2OS/c8-3-1-2-7(10)6-4-11-5-9-6/h4-5H,1-2H2
- InChI Key： ZDZHNYPJWSHHHT-UHFFFAOYSA-N
- SMILES： S1C=NC(=C1)C(CCC#N)=O
Computed Properties
- Exact Mass: 166.02008399g/mol
- Monoisotopic Mass: 166.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 0.6
- Topological Polar Surface Area: 82?2
4-Thiazolebutanenitrile,g-oxo- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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