Carbamimidothioic acid, dodecyl ester, monohydroiodide
TL;DR: Carbamimidothioic acid, dodecyl ester, monohydroiodide (CAS 16914-91-3) is a chemical compound with molecular formula C13H29IN2S and molecular weight 372.10962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecyl carbamimidothioate;hydroiodide
Also Known As: S-Dodecylisothiourea iodide, S-Dodecylisothiuronium iodide, dodecyl carbamimidothioate hydroiodide, AI3-19865, Pseudourea, 2-dodecyl-2-thio-, hydriodide
Technical Specifications
| Molecular Formula | C13H29IN2S |
| Molecular Weight | 372.10962 g/mol |
| XLogP | 5.15 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 372.10962 Da |
| Heavy Atoms | 17 |
| Complexity | 160.0 |
| SMILES | CCCCCCCCCCCCSC(=N)N.I |
| InChIKey | CLYDWXJZMRGGIY-UHFFFAOYSA-N |
Chemical Property Profile of Carbamimidothioic acid, dodecyl ester, monohydroiodide
Property Insights of Carbamimidothioic acid, dodecyl ester, monohydroiodide
The XLogP value of 5.15 indicates that Carbamimidothioic acid, dodecyl ester, monohydroiodide 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, monohydroiodide. Following Lipinski's Rule of Five, Carbamimidothioic acid, dodecyl ester, monohydroiodide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, dodecyl ester, monohydroiodide?
The CAS number of Carbamimidothioic acid, dodecyl ester, monohydroiodide is 16914-91-3.
What is the molecular formula of Carbamimidothioic acid, dodecyl ester, monohydroiodide?
The molecular formula of Carbamimidothioic acid, dodecyl ester, monohydroiodide is C13H29IN2S.
What is the molecular weight of Carbamimidothioic acid, dodecyl ester, monohydroiodide?
The molecular weight of Carbamimidothioic acid, dodecyl ester, monohydroiodide is 372.10962 g/mol.
Where can I buy Carbamimidothioic acid, dodecyl ester, monohydroiodide?
You can request a quote for Carbamimidothioic acid, dodecyl ester, monohydroiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamimidothioic acid, dodecyl ester, monohydroiodide?
Yes, CoreyChem provides custom synthesis services for Carbamimidothioic acid, dodecyl ester, monohydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.