Cas no 58349-08-9 (6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
58349-08-9 structure
Product Name:6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CAS No:58349-08-9
MF:C13H22N2OS
MW:254.391582012177
CID:948386
PubChem ID:4336887
Update Time:2025-04-19
6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 6-nonyl-2-sulfanylidene-1H-pyrimidin-4-one
- DS-005946
- SCHEMBL8944342
- DTXSID30402058
- 58349-08-9
- NSC-363873
- NSC363873
-
- Inchi： 1S/C13H22N2OS/c1-2-3-4-5-6-7-8-9-11-10-12(16)15-13(17)14-11/h10H,2-9H2,1H3,(H2,14,15,16,17)
- InChI Key： KESUQTQMLIQCLD-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(CCCCCCCCC)N1)=O
Computed Properties
- Exact Mass: 254.14546
- Monoisotopic Mass: 254.14528450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 300
- 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: 4
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 41.13
6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one Related Literature
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
58349-08-9 (6-nonyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one) Related Products
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