Cas no 6312-53-4 (5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione)
![5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione structure](https://ossimg.kuujia.com/scimg/6500/6312-53-4x500.png)
6312-53-4 structure
Product Name:5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
CAS No:6312-53-4
MF:C10H8O3
MW:176.168723106384
CID:1645680
PubChem ID:237108
Update Time:2025-04-21
5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione Chemical and Physical Properties
Names and Identifiers
-
- 5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- 5-hydroxy-1,4-naphthalenedione
- Nsc40351
- 2,3-dihydrojuglone
- 5-hydroxy-1,2,3,4-tetrahydronaphthalene-1,4-dione
- 2,3-dihydro-5-hydroxynaphthalene-1,4-dione
- 2,3-dihydro-5-hydroxy-1,4-naphthalenedione
- 2,3-Dihydro-5-hydroxy-1,4-naphthoquinone
- BETA-HYDROJUGLONE
- DTXSID20979087
- 5-hydroxy-1,4-napthalenedione
- 1,4-Naphthalenedione, 2,3-dihydro-5-hydroxy-
- NSC-40351
- 6312-53-4
- SCHEMBL5793477
- 5-hydroxy-2,3-dihydronaphthalene-1,4-dione
- 5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
-
- Inchi： 1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2
- InChI Key： VYTBDSUNRJYVHL-UHFFFAOYSA-N
- SMILES： O=C1C2C(=CC=CC=2C(CC1)=O)O
Computed Properties
- Exact Mass: 176.04700
- Monoisotopic Mass: 176.047344
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 247
- 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: 1.6
- Topological Polar Surface Area: 54.4
Experimental Properties
- Density: 1.35
- Boiling Point: 555°C at 760 mmHg
- Flash Point: 289.5°C
- Refractive Index: 1.643
- PSA: 54.37000
- LogP: 1.55140
5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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