Cas no 5433-12-5 (1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI))
![1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI) structure](https://ossimg.kuujia.com/scimg/5500/5433-12-5x500.png)
5433-12-5 structure
Product Name:1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI)
CAS No:5433-12-5
MF:C11H21BrN4S2
MW:353.345238447189
CID:382585
PubChem ID:54603791
Update Time:2025-04-19
1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI)
- NSC29210; NSC-29210;
- 2,2'-(Pentane-1,5-diyldisulfanediyl)di(4,5-dihydro-1H-imidazole)--hydrogen bromide (1/1)
- NSC29210
- 5433-12-5
- DTXSID90713733
- NSC-29210
-
- Inchi： 1S/C11H20N4S2.BrH/c1(2-8-16-10-12-4-5-13-10)3-9-17-11-14-6-7-15-11;/h1-9H2,(H,12,13)(H,14,15);1H
- InChI Key： FPFVCMVEYMMMOO-UHFFFAOYSA-N
- SMILES： Br.S(C1=NCCN1)CCCCCSC1=NCCN1
Computed Properties
- Exact Mass: 352.03900
- Monoisotopic Mass: 352.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 263
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 99.4A^2
Experimental Properties
- Density: 1.35
- Boiling Point: 428.4°Cat760mmHg
- Flash Point: 212.9°C
- Refractive Index: 1.682
- PSA: 99.38000
- LogP: 2.02840
1H-Imidazole,2,2'-[1,5-pentanediylbis(thio)]bis[4,5-dihydro-, dihydrobromide (9CI) Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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