butyl N,N-dibutylcarbamimidothioate;hydrobromide
TL;DR: butyl N,N-dibutylcarbamimidothioate;hydrobromide (CAS 68797-50-2) is a chemical compound with molecular formula C13H29BrN2S and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N,N-dibutylcarbamimidothioate;hydrobromide
Also Known As: S-Butyl-N,N'-dibutylisothiourea, hydrobromide, butyl N,N-dibutylcarbamimidothioate hydrobromide, S-Butyl-N,N'-dibutylisothiourea monohydrobromide, butyl n,n-dibutylcarbamimidothioate hydrobromide(1:1), Carbamimidothioic acid, N,N'-dibutyl-, butyl ester, monohydrobromide
| Molecular Formula | C13H29BrN2S |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 4.93 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.12347 |
| Heavy Atoms | 17 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 68797-50-2 |
|---|---|
| SMILES | CCCCN(CCCC)C(=N)SCCCC.Br |
| InChIKey | KYIBHCISFXLPSQ-UHFFFAOYSA-N |
Product Overview
butyl N,N-dibutylcarbamimidothioate;hydrobromide (CAS 68797-50-2), with molecular formula C13H29BrN2S and molecular weight 324.12 g/mol. IUPAC: butyl N,N-dibutylcarbamimidothioate;hydrobromide.
Chemical Property Profile of butyl N,N-dibutylcarbamimidothioate;hydrobromide
Property Insights of butyl N,N-dibutylcarbamimidothioate;hydrobromide
The XLogP value of 4.93 indicates that butyl N,N-dibutylcarbamimidothioate;hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, butyl N,N-dibutylcarbamimidothioate;hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl N,N-dibutylcarbamimidothioate;hydrobromide has 2 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 butyl N,N-dibutylcarbamimidothioate;hydrobromide?
The CAS number of butyl N,N-dibutylcarbamimidothioate;hydrobromide is 68797-50-2.
What is the molecular formula of butyl N,N-dibutylcarbamimidothioate;hydrobromide?
The molecular formula of butyl N,N-dibutylcarbamimidothioate;hydrobromide is C13H29BrN2S.
What is the molecular weight of butyl N,N-dibutylcarbamimidothioate;hydrobromide?
The molecular weight of butyl N,N-dibutylcarbamimidothioate;hydrobromide is 324.12 g/mol.
Where can I buy butyl N,N-dibutylcarbamimidothioate;hydrobromide?
You can request a quote for butyl N,N-dibutylcarbamimidothioate;hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N,N-dibutylcarbamimidothioate;hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for butyl N,N-dibutylcarbamimidothioate;hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.