Cas no 5845-62-5 (1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole)
5845-62-5 structure
Product Name:1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole
CAS No:5845-62-5
MF:C20H32N2O2
MW:332.480285644531
CID:1610775
PubChem ID:5204616
Update Time:2025-04-21
1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole
- 1-Cyclohexyl-5-[2-(4-ethoxy-phenoxy)-ethylsulfanyl]-1H-tetrazole
- 1H-tetrazole, 1-cyclohexyl-5-[[2-(4-ethoxyphenoxy)ethyl]thio]-
- 5845-62-5
- STK066710
- MLS001183419
- N~1~-(Adamantan-1-yl)-N~4~-cyclohexylbutanediimidic acid
- AKOS005389110
- CHEMBL1720967
- DTXSID70973994
- N-cyclohexyl-N'-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanediamide
- HMS2825H06
- SMR000503108
-
- Inchi: 1S/C20H32N2O2/c23-18(21-17-4-2-1-3-5-17)6-7-19(24)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,1-13H2,(H,21,23)(H,22,24)
- InChI Key: CUEXDNDSXGMZLM-UHFFFAOYSA-N
- SMILES: O=C(CCC(NC1CCCCC1)=O)NC12CC3CC(CC(C3)C1)C2
Computed Properties
- Exact Mass: 348.16222
- Monoisotopic Mass: 348.161997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 350
- 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
- Topological Polar Surface Area: 87.4
- XLogP3: 3.2
Experimental Properties
- Density: 1.27
- Boiling Point: 533.9°C at 760 mmHg
- Flash Point: 276.7°C
- Refractive Index: 1.629
- PSA: 62.06
1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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