Cas no 89665-71-4 (5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
![5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one structure](https://ossimg.kuujia.com/scimg/90000/89665-71-4x500.png)
89665-71-4 structure
Product Name:5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CAS No:89665-71-4
MF:C17H27N3OS
MW:321.480782747269
CID:1943532
PubChem ID:3021530
Update Time:2025-04-21
5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
- 89665-71-4
- DTXSID90237843
- 5-((Dicyclohexylamino)methyl)-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
- 4(1H)-Pyrimidinone, 5-((dicyclohexylamino)methyl)-2,3-dihydro-2-thioxo-
-
- Inchi： 1S/C17H27N3OS/c21-16-13(11-18-17(22)19-16)12-20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11,14-15H,1-10,12H2,(H2,18,19,21,22)
- InChI Key： CBCLPOVTEOQJIW-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(N1)=O)CN(C1CCCCC1)C1CCCCC1
Computed Properties
- Exact Mass: 321.187
- Monoisotopic Mass: 321.187
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 433
- 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: 3.1
- Topological Polar Surface Area: 76.5?2
Experimental Properties
- Density: 1.18
- Refractive Index: 1.601
5-[(dicyclohexylamino)methyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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