Carbamimidothioic acid, dodecyl ester, monohydrochloride
TL;DR: Carbamimidothioic acid, dodecyl ester, monohydrochloride (CAS 3482-54-0) is a chemical compound with molecular formula C13H29ClN2S and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl carbamimidothioate;hydrochloride
Also Known As: Dodecylthiouronium chloride, S-Dodecylthiourea chloride, Dodecyl thiouronium chloride, S-Dodecylthiuronium chloride, Dodecylisothiuronium chloride
| Molecular Formula | C13H29ClN2S |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 4.96 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.174 |
| Heavy Atoms | 17 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3482-54-0 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=N)N.Cl |
| InChIKey | FPVQTRAZCRXBRH-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, dodecyl ester, monohydrochloride (CAS 3482-54-0), with molecular formula C13H29ClN2S and molecular weight 280.17 g/mol. IUPAC: dodecyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, dodecyl ester, monohydrochloride
Property Insights of Carbamimidothioic acid, dodecyl ester, monohydrochloride
The XLogP value of 4.96 indicates that Carbamimidothioic acid, dodecyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, dodecyl ester, monohydrochloride. Following Lipinski's Rule of Five, Carbamimidothioic acid, dodecyl ester, monohydrochloride has 3 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 Carbamimidothioic acid, dodecyl ester, monohydrochloride?
The CAS number of Carbamimidothioic acid, dodecyl ester, monohydrochloride is 3482-54-0.
What is the molecular formula of Carbamimidothioic acid, dodecyl ester, monohydrochloride?
The molecular formula of Carbamimidothioic acid, dodecyl ester, monohydrochloride is C13H29ClN2S.
What is the molecular weight of Carbamimidothioic acid, dodecyl ester, monohydrochloride?
The molecular weight of Carbamimidothioic acid, dodecyl ester, monohydrochloride is 280.17 g/mol.
Where can I buy Carbamimidothioic acid, dodecyl ester, monohydrochloride?
You can request a quote for Carbamimidothioic acid, 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, dodecyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, dodecyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.