Cas no 88191-90-6 (4(1H)-Pyrimidinone, 1-acetyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)-)
88191-90-6 structure
Product Name:4(1H)-Pyrimidinone, 1-acetyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)-
CAS No:88191-90-6
MF:C7H5F3N2O2S
MW:238.187010526657
CID:641583
PubChem ID:71410136
Update Time:2025-04-19
4(1H)-Pyrimidinone, 1-acetyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 1-acetyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)-
- 1-acetyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one
- 88191-90-6
- DTXSID60829830
- IDOJQSDIEGVATM-UHFFFAOYSA-N
- 1-Acetyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
- 1-Acetyl-2-sulfanylidene-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
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- Inchi： 1S/C7H5F3N2O2S/c1-3(13)12-4(7(8,9)10)2-5(14)11-6(12)15/h2H,1H3,(H,11,14,15)
- InChI Key： IDOJQSDIEGVATM-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(C(F)(F)F)N1C(C)=O)=O
Computed Properties
- Exact Mass: 238.00238307g/mol
- Monoisotopic Mass: 238.00238307g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 375
- 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: 81.5?2
4(1H)-Pyrimidinone, 1-acetyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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