Cas no 832098-98-3 (Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-)
![Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]- structure](https://ossimg.kuujia.com/scimg/832500/832098-98-3x500.png)
832098-98-3 structure
Product Name:Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-
CAS No:832098-98-3
MF:C21H32N2S
MW:344.55718421936
CID:676608
PubChem ID:11416664
Update Time:2025-04-19
Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-
- [4-(1-hexyl-4-bicyclo[2.2.2]octanyl)phenyl]thiourea
- SCHEMBL3423134
- DTXSID90465260
- 832098-98-3
-
- Inchi： 1S/C21H32N2S/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)17-6-8-18(9-7-17)23-19(22)24/h6-9H,2-5,10-16H2,1H3,(H3,22,23,24)
- InChI Key： WDYVKHFNNWBDLV-UHFFFAOYSA-N
- SMILES： S=C(N)NC1C=CC(=CC=1)C12CCC(CCCCCC)(CC1)CC2
Computed Properties
- Exact Mass: 344.22862020g/mol
- Monoisotopic Mass: 344.22862020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 401
- 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: 7.3
- Topological Polar Surface Area: 70.1?2
Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
832098-98-3 (Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-) Related Products
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