Cas no 58474-16-1 (Benzothiazolium,3,3'-(1,10-decanediyl)bis-, bromide (1:2))
58474-16-1 structure
Product Name:Benzothiazolium,3,3'-(1,10-decanediyl)bis-, bromide (1:2)
CAS No:58474-16-1
MF:C24H30Br2N2S2
MW:570.446402072906
CID:370711
PubChem ID:94073
Update Time:2025-04-19
Benzothiazolium,3,3'-(1,10-decanediyl)bis-, bromide (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium,3,3'-(1,10-decanediyl)bis-, bromide (1:2)
- 3,3'-(Decane-1,10-diyl)bis(benzothiazolium) dibromide
- 3,3'-decane-1,10-diylbis-1,3-benzothiazol-3-ium dibromide
- Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, dibromide
- Benzothiazolium,3,3'-(1,10-decanediyl)bis-, dibromide (9CI)
- SCHEMBL1947833
- 3-[10-(1,3-Benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-iumdibromide
- 58474-16-1
- NS00086051
- Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)
- DTXSID20889778
- EINECS 261-276-8
-
- Inchi： 1S/C24H30N2S2.2BrH/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26;;/h7-10,13-16,19-20H,1-6,11-12,17-18H2;2*1H/q+2;;/p-2
- InChI Key： JIZYPFRCBQPFGJ-UHFFFAOYSA-L
- SMILES： [Br-].[Br-].S1C2C=CC=CC=2[N+](=C1)CCCCCCCCCC[N+]1=CSC2C=CC=CC1=2
Computed Properties
- Exact Mass: 537.787
- Monoisotopic Mass: 568.021716
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 406
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.2
Experimental Properties
- PSA: 7.76
Benzothiazolium,3,3'-(1,10-decanediyl)bis-, bromide (1:2) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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