Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)
TL;DR: Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) (CAS 63680-38-6) is a chemical compound with molecular formula C21H45ClN2S and molecular weight 392.2992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl N,N'-diethylcarbamimidothioate;hydrochloride
Also Known As: 1,3-Diethyl-2-hexadecyl-2-thiopseudourea hydrochloride, 4-{[(4-methoxyphenyl)sulfonyl]amino}benzoic acid, hexadecyl n,n'-diethylcarbamimidothioate hydrochloride(1:1), hexadecyl N,N'-diethylcarbamimidothioate hydrochloride, Pseudourea, 1,3-diethyl-2-hexadecyl-2-thio-, hydrochloride
Technical Specifications
| Molecular Formula | C21H45ClN2S |
| Molecular Weight | 392.2992 g/mol |
| XLogP | 7.61 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 392.2992 Da |
| Heavy Atoms | 25 |
| Complexity | 267.0 |
| SMILES | CCCCCCCCCCCCCCCCSC(=NCC)NCC.Cl |
| InChIKey | QIRZODUNBWGMLT-UHFFFAOYSA-N |
Chemical Property Profile of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)
Property Insights of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)
The XLogP value of 7.61 indicates that Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (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 chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) has 2 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 Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)?
The CAS number of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) is 63680-38-6.
What is the molecular formula of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)?
The molecular formula of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) is C21H45ClN2S.
What is the molecular weight of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)?
The molecular weight of Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) is 392.2992 g/mol.
Where can I buy Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)?
You can request a quote for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.