Cas no 1194-71-4 (4(1H)-Pyrimidinone,2,3-dihydro-1,3-dimethyl-2-thioxo-)
1194-71-4 structure
Product Name:4(1H)-Pyrimidinone,2,3-dihydro-1,3-dimethyl-2-thioxo-
CAS No:1194-71-4
MF:C6H8N2OS
MW:156.205519676208
CID:217427
PubChem ID:136932
Update Time:2025-04-19
4(1H)-Pyrimidinone,2,3-dihydro-1,3-dimethyl-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,2,3-dihydro-1,3-dimethyl-2-thioxo-
- 1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
- 1,3-Dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- SCHEMBL17271399
- DTXSID50152447
- 1194-71-4
- 1H,3H-Pyrimidine-4-one-2-thione, 1,3-dimethyl-
-
- Inchi： 1S/C6H8N2OS/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
- InChI Key： KKGQZFFYBBQLKI-UHFFFAOYSA-N
- SMILES： S=C1N(C)C=CC(N1C)=O
Computed Properties
- Exact Mass: 156.03584
- Monoisotopic Mass: 156.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 0.1
- Topological Polar Surface Area: 55.6?2
Experimental Properties
- Density: 1.32
- Boiling Point: 219.6°Cat760mmHg
- Flash Point: 86.6°C
- Refractive Index: 1.641
- PSA: 23.55
4(1H)-Pyrimidinone,2,3-dihydro-1,3-dimethyl-2-thioxo- 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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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