Cas no 471272-92-1 (4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI))
![4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI) structure](https://ossimg.kuujia.com/scimg/471500/471272-92-1x500.png)
471272-92-1 structure
Product Name:4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI)
CAS No:471272-92-1
MF:C14H15N3O3S
MW:305.352201700211
CID:1020970
PubChem ID:71437866
Update Time:2025-04-20
4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI)
- 4,6(1H,5H)-PYRIMIDINEDIONE, 5-[[5-(DIMETHYLAMINO)-2-FURANYL]METHYLENE]DIHYDRO-1-(2-PROPENYL)-2-THIOXO-
- 471272-92-1
- DB-272263
-
- Inchi： 1S/C14H15N3O3S/c1-4-7-17-13(19)10(12(18)15-14(17)21)8-9-5-6-11(20-9)16(2)3/h4-6,8H,1,7H2,2-3H3,(H,15,18,21)
- InChI Key： MBGBHGKHWQIMQK-UHFFFAOYSA-N
- SMILES： S=C1NC(C(=CC2=CC=C(N(C)C)O2)C(N1CC=C)=O)=O
Computed Properties
- Exact Mass: 305.08341252g/mol
- Monoisotopic Mass: 305.08341252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 516
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 97.9?2
4,6(1H,5H)-Pyrimidinedione, 5-[[5-(dimethylamino)-2-furanyl]methylene]dihydro-1-(2-propenyl)-2-thioxo- (9CI) Related Literature
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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