Cas no 89445-58-9 (5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl-)
89445-58-9 structure
Product Name:5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl-
CAS No:89445-58-9
MF:C12H10N4S
MW:242.299600124359
CID:600328
PubChem ID:14022321
Update Time:2025-04-19
5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl-
- 4-amino-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile
- 4-amino-5-cyano-2-methylthio-6-phenylpyrimidine
- DTXSID50554422
- 89445-58-9
- 4-Amino-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
- 4-Amino-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile
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- Inchi： 1S/C12H10N4S/c1-17-12-15-10(8-5-3-2-4-6-8)9(7-13)11(14)16-12/h2-6H,1H3,(H2,14,15,16)
- InChI Key： SPXIONFGJMSKIQ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(=C(C#N)C(C2C=CC=CC=2)=N1)N
Computed Properties
- Exact Mass: 242.06261751g/mol
- Monoisotopic Mass: 242.06261751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 294
- 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: 2.6
- Topological Polar Surface Area: 101?2
5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
89445-58-9 (5-Pyrimidinecarbonitrile, 4-amino-2-(methylthio)-6-phenyl-) Related Products
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