Cas no 49844-89-5 (Pyrimidine, 4-ethoxy-2-(methylthio)-)
49844-89-5 structure
Product Name:Pyrimidine, 4-ethoxy-2-(methylthio)-
CAS No:49844-89-5
MF:C7H10N2OS
MW:170.232100009918
CID:335040
PubChem ID:278101
Update Time:2025-04-19
Pyrimidine, 4-ethoxy-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-ethoxy-2-(methylthio)-
- Pyrimidine, 4-ethoxy-2-(methylthio)- (9CI)
- 4-ethoxy-2-methylsulfanyl-pyrimidine
- 4-O-Ethyl-2-S-methyl-thiouracil
- NSC127243
- DTXSID70964443
- NSC-127243
- UWJMDCWYJQHBKH-UHFFFAOYSA-N
- 4-ethoxy-2-(methylthio)pyrimidine
- 4-ethoxy-2-(methylsulfanyl)pyrimidine
- SCHEMBL2410520
- 49844-89-5
-
- Inchi: 1S/C7H10N2OS/c1-3-10-6-4-5-8-7(9-6)11-2/h4-5H,3H2,1-2H3
- InChI Key: UWJMDCWYJQHBKH-UHFFFAOYSA-N
- SMILES: S(C)C1=NC=CC(=N1)OCC
Computed Properties
- Exact Mass: 170.05100
- Monoisotopic Mass: 170.05138412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 113
- 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: 1.7
- Topological Polar Surface Area: 60.3?2
Experimental Properties
- PSA: 60.31000
- LogP: 1.59720
Pyrimidine, 4-ethoxy-2-(methylthio)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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