Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride
TL;DR: Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride (CAS 5412-04-4) is a chemical compound with molecular formula C15H33ClN2S and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl N,N'-dimethylcarbamimidothioate;hydrochloride
Also Known As: 2-Dodecyl-1,3-dimethyl-2-thiopseudourea hydrochloride, Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydrochloride, Pseudourea,3-dimethyl-2-thio-, hydrochloride, Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride, dodecyl N,N'-dimethylcarbamimidothioate hydrochloride
| Molecular Formula | C15H33ClN2S |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 5.27 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 308.2053 |
| Heavy Atoms | 19 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 5412-04-4 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=NC)NC.Cl |
| InChIKey | KZRZJGGNEMBXSG-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride (CAS 5412-04-4), with molecular formula C15H33ClN2S and molecular weight 308.21 g/mol. IUPAC: dodecyl N,N'-dimethylcarbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride
Property Insights of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride
The XLogP value of 5.27 indicates that Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride?
The CAS number of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride is 5412-04-4.
What is the molecular formula of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride?
The molecular formula of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride is C15H33ClN2S.
What is the molecular weight of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride?
The molecular weight of Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride is 308.21 g/mol.
Where can I buy Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride?
You can request a quote for Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.