Cas no 89079-63-0 (5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-)
89079-63-0 structure
Product Name:5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-
CAS No:89079-63-0
MF:C12H9N3O2S
MW:259.283760786057
CID:613208
PubChem ID:13114190
Update Time:2025-04-19
5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-
- 2-methylsulfonyl-4-phenylpyrimidine-5-carbonitrile
- 2-(Methanesulfonyl)-4-phenylpyrimidine-5-carbonitrile
- 2-(Methylsulfonyl)-4-phenylpyrimidine-5-carbonitrile
- DTXSID50518928
- 89079-63-0
-
- Inchi： 1S/C12H9N3O2S/c1-18(16,17)12-14-8-10(7-13)11(15-12)9-5-3-2-4-6-9/h2-6,8H,1H3
- InChI Key： ZVLRNLARLDRPFC-UHFFFAOYSA-N
- SMILES： S(C)(C1=NC=C(C#N)C(C2C=CC=CC=2)=N1)(=O)=O
Computed Properties
- Exact Mass: 259.04154771g/mol
- Monoisotopic Mass: 259.04154771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 428
- 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: 1.2
- Topological Polar Surface Area: 92.1?2
5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
89079-63-0 (5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-) Related Products
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