Cas no 1598-62-5 (4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo-)
1598-62-5 structure
Product Name:4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo-
CAS No:1598-62-5
MF:C5H5FN2OS
MW:160.169402837753
CID:229581
PubChem ID:3246120
Update Time:2025-04-19
4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo-
- 6-(fluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- 2-Thio-4-hydroxy-6-fluormethyl-pyrimidin
- 6-fluoromethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
- AC1MMXTQ
- CCG-37612
- NCI33035
- NCIStruc1_000009
- NCIStruc2_000129
- NSC33035
- NCGC00013382-02
- 6-(fluoromethyl)-2-mercapto-4-pyrimidinol
- 1598-62-5
- AKOS006306642
- NCI60_002889
- NCGC00096498-01
- SCHEMBL12036993
- DTXSID00390559
- NSC-33035
- CHEMBL1742188
- NCGC00013382
-
- Inchi： 1S/C5H5FN2OS/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
- InChI Key： PTFKKKOYWVQBCY-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(CF)N1)=O
Computed Properties
- Exact Mass: 160.01075
- Monoisotopic Mass: 160.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 73.2?2
Experimental Properties
- Density: 1.46
- Boiling Point: 385.3°Cat760mmHg
- Flash Point: 186.8°C
- Refractive Index: 1.601
- PSA: 46.01
- LogP: 0.90200
4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
1598-62-5 (4(1H)-Pyrimidinone,6-(fluoromethyl)-2,3-dihydro-2-thioxo-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
