C8H20N3S.BrH.Br
TL;DR: C8H20N3S.BrH.Br (CAS 32458-57-4) is a chemical compound with molecular formula C8H21Br2N3S and molecular weight 348.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(ethylazaniumyl)iminomethyl]sulfanylethyl-trimethylazanium dibromide
Also Known As: 2-Trimethylaminoethyl 1'-ethylisothiuronium bromide hydrobromide, (2-(((Ethylamino)iminomethyl)thio)ethyl)trimethyl ammonium bromide hydrobromide, Ammonium, (2-(((ethylamino)iminomethyl)thio)ethyl)trimethyl-, bromide, monohydrobromide, S-(2-Trimethylaminoethyl)-1'-ethylisothiuronium bromide hydrobromide, Ammonium, (2-((ethylamidino)thio)ethyl)trimethyl-, bromide, monohydrobromide
| Molecular Formula | C8H21Br2N3S |
|---|---|
| Molecular Weight | 348.98 g/mol |
| LogP | -6.0396 |
| Topological Polar Surface Area | 28.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.9823 |
| Heavy Atoms | 14 |
| Complexity | 137.0383 |
Chemical Identifiers
| CAS Number | 32458-57-4 |
|---|---|
| SMILES | CC[NH2+]/N=C/SCC[N+](C)(C)C.[Br-].[Br-] |
Product Overview
C8H20N3S.BrH.Br (CAS 32458-57-4), with molecular formula C8H21Br2N3S and molecular weight 348.98 g/mol. IUPAC: 2-[(E)-(ethylazaniumyl)iminomethyl]sulfanylethyl-trimethylazanium dibromide.
Chemical Property Profile of C8H20N3S.BrH.Br
Property Insights of C8H20N3S.BrH.Br
The XLogP value of -6.0396 indicates that C8H20N3S.BrH.Br is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.97 Ų, C8H20N3S.BrH.Br exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C8H20N3S.BrH.Br has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C8H20N3S.BrH.Br?
The CAS number of C8H20N3S.BrH.Br is 32458-57-4.
What is the molecular formula of C8H20N3S.BrH.Br?
The molecular formula of C8H20N3S.BrH.Br is C8H21Br2N3S.
What is the molecular weight of C8H20N3S.BrH.Br?
The molecular weight of C8H20N3S.BrH.Br is 348.98 g/mol.
Where can I buy C8H20N3S.BrH.Br?
You can request a quote for C8H20N3S.BrH.Br directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H20N3S.BrH.Br?
Yes, KEHONG BIO provides custom synthesis services for C8H20N3S.BrH.Br and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.