Cas no 283168-85-4 (4(3H)-Pyrimidinone,3-acetyl-2-(methylthio)-)
283168-85-4 structure
Product Name:4(3H)-Pyrimidinone,3-acetyl-2-(methylthio)-
CAS No:283168-85-4
MF:C7H8N2O2S
MW:184.215620040894
CID:248413
PubChem ID:45119505
Update Time:2025-04-19
4(3H)-Pyrimidinone,3-acetyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,3-acetyl-2-(methylthio)-
- 3-acetyl-2-(methylthio)pyrimidin-4(3H)-one
- 283168-85-4
-
- Inchi： 1S/C7H8N2O2S/c1-5(10)9-6(11)3-4-8-7(9)12-2/h3-4H,1-2H3
- InChI Key： QBUSCQHHKDUVBB-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=CC(N1C(C)=O)=O
Computed Properties
- Exact Mass: 184.03064868g/mol
- Monoisotopic Mass: 184.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 283
- 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: 0.2
- Topological Polar Surface Area: 75?2
4(3H)-Pyrimidinone,3-acetyl-2-(methylthio)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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