Cas no 54089-09-7 (5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone)
54089-09-7 structure
Product Name:5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
CAS No:54089-09-7
MF:C8H12N2OS
MW:184.258680343628
CID:1080260
PubChem ID:14209744
Update Time:2025-04-20
5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone Chemical and Physical Properties
Names and Identifiers
-
- 5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
- SCHEMBL10701445
- 54089-09-7
- DTXSID50873589
- DB-325205
- 5,6-Diethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
-
- Inchi： 1S/C8H12N2OS/c1-3-5-6(4-2)9-8(12)10-7(5)11/h3-4H2,1-2H3,(H2,9,10,11,12)
- InChI Key： WBWROCLSSUPQQS-UHFFFAOYSA-N
- SMILES： S=C1NC(C(CC)=C(CC)N1)=O
Computed Properties
- Exact Mass: 184.06703418g/mol
- Monoisotopic Mass: 184.06703418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 258
- 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: 1.2
- Topological Polar Surface Area: 73.2?2
5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
54089-09-7 (5,6-Diethyl-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone) Related Products
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