Cas no 62175-75-1 (6-(2-oxopropyl)-2-sulfanylidene-1h-pyrimidin-4-one)
62175-75-1 structure
Product Name:6-(2-oxopropyl)-2-sulfanylidene-1h-pyrimidin-4-one
CAS No:62175-75-1
MF:C7H8N2O2S
MW:184.215620040894
CID:956252
PubChem ID:4653428
Update Time:2025-04-19
6-(2-oxopropyl)-2-sulfanylidene-1h-pyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 6-(2-oxopropyl)-2-sulfanylidene-1h-pyrimidin-4-one
- 2,3-DIHYDRO-6-(2-OXOPROPYL)-2-THIOXO-4(1H)-PYRIMIDINONE
- 6-(2-oxo-propyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
- AC1NF5W9
- NSC250614
- DS-015567
- NSC-250614
- 62175-75-1
- DTXSID40405277
-
- Inchi： 1S/C7H8N2O2S/c1-4(10)2-5-3-6(11)9-7(12)8-5/h3H,2H2,1H3,(H2,8,9,11,12)
- InChI Key： YUOHGFAOPVTETJ-UHFFFAOYSA-N
- SMILES： S=C1NC(C=C(CC(C)=O)N1)=O
Computed Properties
- Exact Mass: 184.03074
- Monoisotopic Mass: 184.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- 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: -0.7
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- PSA: 58.2
- LogP: 0.56400
6-(2-oxopropyl)-2-sulfanylidene-1h-pyrimidin-4-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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