Hexadecyl carbamimidothioate
TL;DR: Hexadecyl carbamimidothioate (CAS 66278-80-6) is a chemical compound with molecular formula C17H36N2S and molecular weight 300.25992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl carbamimidothioate
Also Known As: hexadecyl carbamimidothioate, S-Hexadecylisothiourea, 2-Hexadecylisothiourea, (hexadecylsulfanyl)methanimidamide, Carbamimidothioic acid,hexadecyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H36N2S |
| Molecular Weight | 300.25992 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 300.25992 Da |
| Heavy Atoms | 20 |
| Complexity | 207.0 |
| SMILES | CCCCCCCCCCCCCCCCSC(=N)N |
| InChIKey | GKPIXYIFLKNNKB-UHFFFAOYSA-N |
Chemical Property Profile of Hexadecyl carbamimidothioate
Property Insights of Hexadecyl carbamimidothioate
The XLogP value of 7.9 indicates that Hexadecyl carbamimidothioate 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 Hexadecyl carbamimidothioate. Following Lipinski's Rule of Five, Hexadecyl carbamimidothioate 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 carbamimidothioate?
The CAS number of Hexadecyl carbamimidothioate is 66278-80-6.
What is the molecular formula of Hexadecyl carbamimidothioate?
The molecular formula of Hexadecyl carbamimidothioate is C17H36N2S.
What is the molecular weight of Hexadecyl carbamimidothioate?
The molecular weight of Hexadecyl carbamimidothioate is 300.25992 g/mol.
Where can I buy Hexadecyl carbamimidothioate?
You can request a quote for Hexadecyl carbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadecyl carbamimidothioate?
Yes, CoreyChem provides custom synthesis services for Hexadecyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.