Cas no 62652-36-2 (1H-Imidazole, 4,5-dihydro-2-(pentylthio)-)
62652-36-2 structure
Product Name:1H-Imidazole, 4,5-dihydro-2-(pentylthio)-
CAS No:62652-36-2
MF:C8H16N2S
MW:172.291040420532
CID:436438
PubChem ID:19240303
Update Time:2025-04-19
1H-Imidazole, 4,5-dihydro-2-(pentylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 4,5-dihydro-2-(pentylthio)-
- 2-pentylsulfanyl-4,5-dihydro-1H-imidazole
- DTXSID70598207
- 2-(PENTYLSULFANYL)-4,5-DIHYDRO-1H-IMIDAZOLE
- SCHEMBL4790582
- 62652-36-2
-
- Inchi: 1S/C8H16N2S/c1-2-3-4-7-11-8-9-5-6-10-8/h2-7H2,1H3,(H,9,10)
- InChI Key: DKMNFUZDKDQQFN-UHFFFAOYSA-N
- SMILES: S(C1=NCCN1)CCCCC
Computed Properties
- Exact Mass: 172.10358
- Monoisotopic Mass: 172.10341969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 134
- 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
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 24.39
1H-Imidazole, 4,5-dihydro-2-(pentylthio)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
62652-36-2 (1H-Imidazole, 4,5-dihydro-2-(pentylthio)-) Related Products
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