Cas no 14080-20-7 (Pyrimidine,4-(methylsulfinyl)-)
14080-20-7 structure
Product Name:Pyrimidine,4-(methylsulfinyl)-
CAS No:14080-20-7
MF:C5H6N2OS
MW:142.178939342499
CID:120134
PubChem ID:21766151
Update Time:2025-04-18
Pyrimidine,4-(methylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-(methylsulfinyl)-
- Pyrimidine, 4-(methylsulfinyl)- (8CI)
- SCHEMBL11278952
- 14080-20-7
- 4-methylsulfinylpyrimidine
-
- Inchi: 1S/C5H6N2OS/c1-9(8)5-2-3-6-4-7-5/h2-4H,1H3
- InChI Key: LEGJRLXMYHVXFF-UHFFFAOYSA-N
- SMILES: S(C)(C1C=CN=CN=1)=O
Computed Properties
- Exact Mass: 142.02018
- Monoisotopic Mass: 142.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 118
- 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
- XLogP3: -0.3
- Topological Polar Surface Area: 62.1?2
Experimental Properties
- PSA: 42.85
Pyrimidine,4-(methylsulfinyl)- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
14080-20-7 (Pyrimidine,4-(methylsulfinyl)-) Related Products
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