Cas no 55982-10-0 (4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo-)
55982-10-0 structure
Product Name:4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo-
CAS No:55982-10-0
MF:C10H8N2O2S
MW:220.247720718384
CID:350178
PubChem ID:1204322
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo-
- 6-(2-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
- 6-(2-Hydroxyphenyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
- 55982-10-0
- DTXSID50360949
- 6-(2-Hydroxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
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- Inchi： 1S/C10H8N2O2S/c13-8-4-2-1-3-6(8)7-5-9(14)12-10(15)11-7/h1-5,13H,(H2,11,12,14,15)
- InChI Key： LUFCXIHSJIZLPP-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(C2C=CC=CC=2O)N1)=O
Computed Properties
- Exact Mass: 220.03074
- Monoisotopic Mass: 220.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 327
- 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: 0.9
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 61.36
4(1H)-Pyrimidinone, 2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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