Cas no 32210-99-4 (4(1H)-Pyrimidinone, 6-aminotetrahydro-2-thioxo-)
32210-99-4 structure
Product Name:4(1H)-Pyrimidinone, 6-aminotetrahydro-2-thioxo-
CAS No:32210-99-4
MF:C4H7N3OS
MW:145.182878732681
CID:1450925
Update Time:2024-08-24
4(1H)-Pyrimidinone, 6-aminotetrahydro-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 6-aminotetrahydro-2-thioxo-
- 6-AMINO-2-THIOXO-TETRAHYDROPYRIMIDIN-4(1H)-ONE
-
- Inchi： 1S/C4H7N3OS/c5-2-1-3(8)7-4(9)6-2/h2H,1,5H2,(H2,6,7,8,9)
- InChI Key： IWXQGLKXRNXAPY-UHFFFAOYSA-N
- SMILES： C1(=S)NC(N)CC(=O)N1
Computed Properties
- Exact Mass: 145.03111
- Monoisotopic Mass: 145.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 99.2A^2
Experimental Properties
- Density: 1.47±0.1 g/cm3(Predicted)
- PSA: 67.15
- pka: 11.02±0.40(Predicted)
4(1H)-Pyrimidinone, 6-aminotetrahydro-2-thioxo- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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