Cas no 61640-53-7 (Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)-)
61640-53-7 structure
Product Name:Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)-
CAS No:61640-53-7
MF:C8H12N2S
MW:168.259280204773
CID:471709
PubChem ID:12343175
Update Time:2025-04-19
Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)-
- 4-ethyl-6-methyl-2-methylsulfanylpyrimidine
- 4-Ethyl-6-methyl-2-(methylsulfanyl)pyrimidine
- 61640-53-7
- DTXSID70492397
- SCHEMBL13064527
-
- Inchi： 1S/C8H12N2S/c1-4-7-5-6(2)9-8(10-7)11-3/h5H,4H2,1-3H3
- InChI Key： RBHARIADJALHDP-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(C)=CC(CC)=N1
Computed Properties
- Exact Mass: 168.07226
- Monoisotopic Mass: 168.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 2.3
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
61640-53-7 (Pyrimidine, 4-ethyl-6-methyl-2-(methylthio)-) Related Products
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