Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)
TL;DR: Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) (CAS 5339-46-8) is a chemical compound with molecular formula C21H45IN2S and molecular weight 484.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl N,N'-diethylcarbamimidothioate;hydroiodide
Also Known As: (4,4'-dithiocyanato)diphenylamine, 1,3-Diethyl-2-hexadecyl-2-thiopseudourea hydriodide, Pseudourea, 1,3-diethyl-2-hexadecyl-2-thio-, hydriodide, N,N-DIETHYL-1-HEXADECYLSULFANYL-METHANIMIDAMIDE, hexadecyl N,N'-diethylcarbamimidothioate hydroiodide
| Molecular Formula | C21H45IN2S |
|---|---|
| Molecular Weight | 484.23 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 484.23483 |
| Heavy Atoms | 25 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5339-46-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC(=NCC)NCC.I |
| InChIKey | JOANHRCWWUJBAQ-UHFFFAOYSA-N |
Product Overview
Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) (CAS 5339-46-8), with molecular formula C21H45IN2S and molecular weight 484.23 g/mol. IUPAC: hexadecyl N,N'-diethylcarbamimidothioate;hydroiodide.
Chemical Property Profile of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)
Property Insights of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)
The XLogP value of 7.8 indicates that Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) 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 Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)?
The CAS number of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) is 5339-46-8.
What is the molecular formula of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)?
The molecular formula of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) is C21H45IN2S.
What is the molecular weight of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)?
The molecular weight of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) is 484.23 g/mol.
Where can I buy Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)?
You can request a quote for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.