Cas no 126365-49-9 (4(1H)-Pyrimidinone,2,3-dihydro-5-hydroxy-2-thioxo-)
126365-49-9 structure
Product Name:4(1H)-Pyrimidinone,2,3-dihydro-5-hydroxy-2-thioxo-
CAS No:126365-49-9
MF:C4H4N2O2S
MW:144.151759147644
CID:103516
PubChem ID:22648396
Update Time:2025-04-18
4(1H)-Pyrimidinone,2,3-dihydro-5-hydroxy-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,2,3-dihydro-5-hydroxy-2-thioxo-
- 4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-2-thioxo- (9CI)
- AKOS006373285
- 126365-49-9
- 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
- 5-Hydroxy-2-mercapto-3H-pyrimidin-4-one
- SCHEMBL5496967
- WRROYQPJEAZQFA-UHFFFAOYSA-N
- SCHEMBL11734576
-
- Inchi： 1S/C4H4N2O2S/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
- InChI Key： WRROYQPJEAZQFA-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(N1)=O)O
Computed Properties
- Exact Mass: 143.99942
- Monoisotopic Mass: 143.99934855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 199
- 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: -0.5
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 66.24
4(1H)-Pyrimidinone,2,3-dihydro-5-hydroxy-2-thioxo- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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