Cas no 106983-37-3 (Hexanamide, 3-oxo-N-(tetrahydro-2-oxo-3-thienyl)-)
106983-37-3 structure
Product Name:Hexanamide, 3-oxo-N-(tetrahydro-2-oxo-3-thienyl)-
CAS No:106983-37-3
MF:C10H15NO3S
MW:229.296001672745
CID:1185281
PubChem ID:85107095
Update Time:2025-04-20
Hexanamide, 3-oxo-N-(tetrahydro-2-oxo-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanamide, 3-oxo-N-(tetrahydro-2-oxo-3-thienyl)-
- 106983-37-3
- DTXSID701246046
- 3-Oxo-N-(tetrahydro-2-oxo-3-thienyl)hexanamide
-
- Inchi： 1S/C10H15NO3S/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)
- InChI Key： CBTLHSMHNIHVBP-UHFFFAOYSA-N
- SMILES： S1C(C(CC1)NC(CC(CCC)=O)=O)=O
Computed Properties
- Exact Mass: 229.07735
- Monoisotopic Mass: 229.07726451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 88.5?2
Experimental Properties
- PSA: 63.24
Hexanamide, 3-oxo-N-(tetrahydro-2-oxo-3-thienyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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