Cas no 55055-25-9 (4,6-dimethylpyrimidin-2-yl thiocyanate)
55055-25-9 structure
Product Name:4,6-dimethylpyrimidin-2-yl thiocyanate
CAS No:55055-25-9
MF:C7H7N3S
MW:165.215579271317
CID:1594756
PubChem ID:3043121
Update Time:2025-04-21
4,6-dimethylpyrimidin-2-yl thiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 4,6-dimethylpyrimidin-2-yl thiocyanate
- (4,6-dimethylpyrimidin-2-yl) thiocyanate
- 55055-25-9
- 4,6-Dimethyl-2-pyrimidinyl thiocyanate
- AKOS024331408
- Thiocyanic acid, 4,6-dimethyl-2-pyrimidinyl ester
- BRN 0879822
- DTXSID60970412
- dimethyl-2-thiocyanopyrimidine
- 5-23-11-00169 (Beilstein Handbook Reference)
-
- Inchi： 1S/C7H7N3S/c1-5-3-6(2)10-7(9-5)11-4-8/h3H,1-2H3
- InChI Key： LZLCVTIHZNVKMI-UHFFFAOYSA-N
- SMILES： S(C#N)C1=NC(C)=CC(C)=N1
Computed Properties
- Exact Mass: 165.03621
- Monoisotopic Mass: 165.03606841g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 1.9
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 49.57
4,6-dimethylpyrimidin-2-yl thiocyanate Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
55055-25-9 (4,6-dimethylpyrimidin-2-yl thiocyanate) Related Products
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