Cas no 4694-58-0 (Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione)
![Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione structure](https://ossimg.kuujia.com/scimg/5000/4694-58-0x500.png)
4694-58-0 structure
Product Name:Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione
CAS No:4694-58-0
MF:C11H13N3O2S
MW:251.304820775986
CID:334000
PubChem ID:2738040
Update Time:2025-04-19
Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione
- N1-({[(methylamino)carbonyl]amino}carbothioyl)-4-methylbenzamide
- 1-methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
- 4-METHYL-N-{[(METHYLCARBAMOYL)AMINO]METHANETHIOYL}BENZAMIDE
- CCG-245826
- 12F-935
- 4-methyl-N-(methylcarbamoylcarbamothioyl)benzamide
- 4694-58-0
- MFCD00098467
- N-{[Hydroxy(methylimino)methyl]carbamothioyl}-4-methylbenzene-1-carboximidic acid
- NS00017094
- 1-methyl-4-(((((methylamino)carbonyl)amino)carbothioyl)carbonyl)benzene
- DTXSID00963702
- AKOS015992026
- 138712-75-1
-
- Inchi： 1S/C11H13N3O2S/c1-7-3-5-8(6-4-7)9(15)13-11(17)14-10(16)12-2/h3-6H,1-2H3,(H3,12,13,14,15,16,17)
- InChI Key： PUGVXCRHGFKHFM-UHFFFAOYSA-N
- SMILES： S=C(NC(NC)=O)NC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 251.07299
- Monoisotopic Mass: 251.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 312
- 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: 2.5
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 70.23
Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
4694-58-0 (Dibenzo[c,f][2,7]naphthyridine-6,7(5H,8H)-dione) Related Products
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