Cas no 23939-19-7 (4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl-)
![4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl- structure](https://ossimg.kuujia.com/scimg/24000/23939-19-7x500.png)
23939-19-7 structure
Product Name:4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No:23939-19-7
MF:C14H18N2OS
MW:262.370522022247
CID:285403
PubChem ID:4260923
Update Time:2025-04-19
4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl-
- 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one
- DTXSID30401344
- AKOS015051406
- NSC-242016
- 23939-19-7
- NSC242016
-
- Inchi： 1S/C14H18N2OS/c17-12-4-11(15-13(18)16-12)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H2,15,16,17,18)
- InChI Key： XVBHACYRASBMEJ-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(C23CC4CC(CC(C4)C2)C3)N1)=O
Computed Properties
- Exact Mass: 262.11414
- Monoisotopic Mass: 262.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 427
- 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
- Topological Polar Surface Area: 73.2A^2
- XLogP3: 2.5
Experimental Properties
- Density: 1.32
- Refractive Index: 1.659
- PSA: 41.13
- LogP: 2.90030
4(1H)-Pyrimidinone,2,3-dihydro-2-thioxo-6-tricyclo[3.3.1.13,7]dec-1-yl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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