TL;DR: Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide (CAS 16181-89-8) is a chemical compound with molecular formula C8H22Br2N6S2 and molecular weight 423.9714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-[carbamimidoyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylguanidine;dihydrobromide
Also Known As: Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide, N,N'''-(Dithiodi-2,1-ethanediyl)bis(N-methylguanidine) dihydrobromide, 1-[2-[2-[carbamimidoyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylguanidine dihydrobromide, N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis(N-methylguanidine)--hydrogen bromide (1/2)
| Molecular Formula | C8H22Br2N6S2 |
| Molecular Weight | 423.9714 g/mol |
| XLogP | 1.17414 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.9714 Da |
| Heavy Atoms | 18 |
| Complexity | 211.0 |
| SMILES | CN(CCSSCCN(C)C(=N)N)C(=N)N.Br.Br |
| InChIKey | BELVTZCNDZSHQP-UHFFFAOYSA-N |
The XLogP value of 1.17414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide. The TPSA of 157.0 Ų indicates high polarity, suggesting Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide is 16181-89-8.
The molecular formula of Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide is C8H22Br2N6S2.
The molecular weight of Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis(N-methyl-, dihydrobromide is 423.9714 g/mol.
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