Cas no 61640-54-8 (Pyrimidine, 4,6-diethyl-2-(methylthio)-)
61640-54-8 structure
Product Name:Pyrimidine, 4,6-diethyl-2-(methylthio)-
CAS No:61640-54-8
MF:C9H14N2S
MW:182.285860538483
CID:471708
PubChem ID:12343181
Update Time:2025-04-19
Pyrimidine, 4,6-diethyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-diethyl-2-(methylthio)-
- 4,6-diethyl-2-methylsulfanylpyrimidine
- 61640-54-8
- DTXSID90492399
- 4,6-Diethyl-2-(methylsulfanyl)pyrimidine
- SCHEMBL5354380
-
- Inchi: 1S/C9H14N2S/c1-4-7-6-8(5-2)11-9(10-7)12-3/h6H,4-5H2,1-3H3
- InChI Key: YFFYMXJJPXPAOX-UHFFFAOYSA-N
- SMILES: S(C)C1=NC(=CC(CC)=N1)CC
Computed Properties
- Exact Mass: 182.08792
- Monoisotopic Mass: 182.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 118
- 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: 2.7
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4,6-diethyl-2-(methylthio)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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