Cas no 61682-18-6 (1H-Imidazole, 1-ethyl-4,5-dihydro-2-(methylthio)-)
61682-18-6 structure
Product Name:1H-Imidazole, 1-ethyl-4,5-dihydro-2-(methylthio)-
CAS No:61682-18-6
MF:C6H12N2S
MW:144.237879753113
CID:1628672
PubChem ID:12504492
Update Time:2025-04-21
1H-Imidazole, 1-ethyl-4,5-dihydro-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 1-ethyl-4,5-dihydro-2-(methylthio)-
- 1-ethyl-2-methylsulfanyl-4,5-dihydroimidazole
- 61682-18-6
- 1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
- UUKHHDQBZOVMIY-UHFFFAOYSA-N
- 1-ethyl-2-methylthioimidazoline
- SCHEMBL11084110
- DTXSID30500669
-
- Inchi: 1S/C6H12N2S/c1-3-8-5-4-7-6(8)9-2/h3-5H2,1-2H3
- InChI Key: UUKHHDQBZOVMIY-UHFFFAOYSA-N
- SMILES: S(C)C1=NCCN1CC
Computed Properties
- Exact Mass: 144.07226
- Monoisotopic Mass: 144.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 122
- 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: 0.7
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 15.6
1H-Imidazole, 1-ethyl-4,5-dihydro-2-(methylthio)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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