异硫代氨基甲酸十二烷基酯单氢碘酸盐
TL;DR: 异硫代氨基甲酸十二烷基酯单氢碘酸盐 (CAS 16914-91-3) is a chemical compound with molecular formula C13H29IN2S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异硫代氨基甲酸十二烷基酯单氢碘酸盐
dodecyl carbamimidothioate;hydroiodide
Also Known As: S-Dodecylisothiourea iodide, S-Dodecylisothiuronium iodide, dodecyl carbamimidothioate hydroiodide, AI3-19865, Pseudourea, 2-dodecyl-2-thio-, hydriodide
| Molecular Formula | C13H29IN2S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 5.15 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 372.10962 |
| Heavy Atoms | 17 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 16914-91-3 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=N)N.I |
| InChIKey | CLYDWXJZMRGGIY-UHFFFAOYSA-N |
Product Overview
异硫代氨基甲酸十二烷基酯单氢碘酸盐 (CAS 16914-91-3), with molecular formula C13H29IN2S and molecular weight 372.11 g/mol. IUPAC: dodecyl carbamimidothioate;hydroiodide.
Chemical Property Profile of 异硫代氨基甲酸十二烷基酯单氢碘酸盐
Property Insights of 异硫代氨基甲酸十二烷基酯单氢碘酸盐
The XLogP value of 5.15 indicates that 异硫代氨基甲酸十二烷基酯单氢碘酸盐 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 异硫代氨基甲酸十二烷基酯单氢碘酸盐. Following Lipinski's Rule of Five, 异硫代氨基甲酸十二烷基酯单氢碘酸盐 has 3 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 异硫代氨基甲酸十二烷基酯单氢碘酸盐?
The CAS number of 异硫代氨基甲酸十二烷基酯单氢碘酸盐 is 16914-91-3.
What is the molecular formula of 异硫代氨基甲酸十二烷基酯单氢碘酸盐?
The molecular formula of 异硫代氨基甲酸十二烷基酯单氢碘酸盐 is C13H29IN2S.
What is the molecular weight of 异硫代氨基甲酸十二烷基酯单氢碘酸盐?
The molecular weight of 异硫代氨基甲酸十二烷基酯单氢碘酸盐 is 372.11 g/mol.
Where can I buy 异硫代氨基甲酸十二烷基酯单氢碘酸盐?
You can request a quote for 异硫代氨基甲酸十二烷基酯单氢碘酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异硫代氨基甲酸十二烷基酯单氢碘酸盐?
Yes, KEHONG BIO provides custom synthesis services for 异硫代氨基甲酸十二烷基酯单氢碘酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.