Cas no 45726-44-1 ( )
structure
Product Name:
CAS No:45726-44-1
MF:C4H5N4NaS
MW:164.164068937302
CID:930004
PubChem ID:23713746
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- sodium,4,6-diamino-1H-pyrimidine-2-thione
- 4,6-diamino-2-mercaptopyrimidine Na salt
- NSC409787
- sodium salt of 4,6-diamino-2-mercapto pyrimidine
- sodium (4,6-diaminopyrimidin-2-yl)sulfanide
- sodium 4,6-diaminopyrimidine-2-thiolate
- 45726-44-1
-
-
- Inchi： 1S/C4H6N4S.Na/c5-2-1-3(6)8-4(9)7-2;/h1H,(H5,5,6,7,8,9);/q;+1/p-1
- InChI Key： RWJJIOAARHAKIA-UHFFFAOYSA-M
- SMILES： [S-]C1=NC(=CC(N)=N1)N.[Na+]
Computed Properties
- Exact Mass: 165.02100
- Monoisotopic Mass: 164.01326163g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 93.3
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 112.81000
- LogP: 1.46600
Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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5. Agricultural
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