Cas no 696-13-9 (4(1H)-Pyrimidinone,tetrahydro-1-methyl-2-thioxo-)
696-13-9 structure
Product Name:4(1H)-Pyrimidinone,tetrahydro-1-methyl-2-thioxo-
CAS No:696-13-9
MF:C5H8N2OS
MW:144.194819450378
CID:508138
PubChem ID:4466144
Update Time:2025-04-19
4(1H)-Pyrimidinone,tetrahydro-1-methyl-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,tetrahydro-1-methyl-2-thioxo-
- 1-methyl-2-sulfanylidene-1,3-diazinan-4-one
- 696-13-9
- NSC56904
- CHEMBL472768
- 1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone
- AKOS024339475
- NSC-56904
- SCHEMBL23323359
- DTXSID80403590
-
- Inchi： 1S/C5H8N2OS/c1-7-3-2-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9)
- InChI Key： HFWHSXCCKCIEHZ-UHFFFAOYSA-N
- SMILES： S=C1NC(CCN1C)=O
Computed Properties
- Exact Mass: 144.036
- Monoisotopic Mass: 144.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 157
- 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: 64.4A^2
- XLogP3: -0.4
Experimental Properties
- Density: 1.31
- Refractive Index: 1.608
- PSA: 67.92000
- LogP: -0.06320
4(1H)-Pyrimidinone,tetrahydro-1-methyl-2-thioxo- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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