Cas no 521969-43-7 (3-methyl-6-pyridin-4-yl-2-sulfanylidene-1h-pyrimidin-4-one)
521969-43-7 structure
Product Name:3-methyl-6-pyridin-4-yl-2-sulfanylidene-1h-pyrimidin-4-one
CAS No:521969-43-7
MF:C10H9N3OS
MW:219.262960195541
CID:1576267
PubChem ID:11333463
Update Time:2025-04-21
3-methyl-6-pyridin-4-yl-2-sulfanylidene-1h-pyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-6-pyridin-4-yl-2-sulfanylidene-1H-pyrimidin-4-one
- 2-mercapto-3-methyl-6-(4-pyridyl)-3H-pyrimidin-4-one
- A7665
- MXLBEFRKZYPNQP-UHFFFAOYSA-N
- 3-Methyl-6-(pyridin-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 2-Mercapto-3 -methyl-6-pyridin-4-yl-3H-pyrimidin-4-one
- 3-Methyl-6-(pyridin-4-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
- 2-mercapto-3-methyl-6-(pyridin-4-yl)pyrimidin-4(3H)-one
- 521969-43-7
- SCHEMBL1673943
- AKOS015850685
- 2-mercapto-3-methyl-6-(4-pyridyl)-pyrimidine-4-one
- 3-Methyl-6-(4-pyridinyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
- DB-324699
- DTXSID60462660
- 4(1H)-Pyrimidinone, 2,3-dihydro-3-methyl-6-(4-pyridinyl)-2-thioxo-
- 2-mercapto-3-methyl-6-pyridin-4-yl-3H-pyrimidin-4-one
- 3-methyl-6-pyridin-4-yl-2-sulfanylidene-1h-pyrimidin-4-one
-
- Inchi： 1S/C10H9N3OS/c1-13-9(14)6-8(12-10(13)15)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,15)
- InChI Key： MXLBEFRKZYPNQP-UHFFFAOYSA-N
- SMILES： S=C1NC(=CC(N1C)=O)C1C=CN=CC=1
Computed Properties
- Exact Mass: 219.04663309g/mol
- Monoisotopic Mass: 219.04663309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 0.4
- Topological Polar Surface Area: 77.3?2
3-methyl-6-pyridin-4-yl-2-sulfanylidene-1h-pyrimidin-4-one Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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