Cas no 37914-87-7 (Guanidine,N,N'''-(dithiodi-2,1-ethanediyl)bis[N-ethyl-, dihydrobromide (9CI))
37914-87-7 structure
Product Name:Guanidine,N,N'''-(dithiodi-2,1-ethanediyl)bis[N-ethyl-, dihydrobromide (9CI)
CAS No:37914-87-7
MF:C10H26Br2N6S2
MW:454.291636943817
CID:313037
PubChem ID:216942
Update Time:2025-04-19
Guanidine,N,N'''-(dithiodi-2,1-ethanediyl)bis[N-ethyl-, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-[2-[2-[carbamimidoyl(ethyl)amino]ethyldisulfanyl]ethyl]-1-ethylguanidine,dihydrobromide
- Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-ethyl-, dihydrobromide
- N,N'''-(Dithiodi-2,1-ethanediyl)bis(N-ethylguanidine) dihydrobromide
- DTXSID90191350
- 1-[2-[2-(carbamimidoylethylamino)ethyldisulfanyl]ethyl]-1-ethyl-guan idine dihydrobromide
- 37914-87-7
- Guanidine,N,N'''-(dithiodi-2,1-ethanediyl)bis[N-ethyl-, dihydrobromide (9CI)
-
- Inchi： 1S/C10H24N6S2.2BrH/c1-3-15(9(11)12)5-7-17-18-8-6-16(4-2)10(13)14;;/h3-8H2,1-2H3,(H3,11,12)(H3,13,14);2*1H
- InChI Key： OFNMNCMQFIWRPR-UHFFFAOYSA-N
- SMILES： Br.Br.S(CCN(C(=N)N)CC)SCCN(C(=N)N)CC
Computed Properties
- Exact Mass: 452.00298
- Monoisotopic Mass: 452.00271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 235
- 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: 157?2
Experimental Properties
- PSA: 106.22
Guanidine,N,N'''-(dithiodi-2,1-ethanediyl)bis[N-ethyl-, dihydrobromide (9CI) Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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