Dodecyl carbamimidothioate
TL;DR: Dodecyl carbamimidothioate (CAS 51253-51-1) is a chemical compound with molecular formula C13H28N2S and molecular weight 244.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl carbamimidothioate
Also Known As: dodecyl carbamimidothioate, Dodecylthioformamidine, S-dodecyl isothiourea, S-n-dodecylisothiourea, dodecylthiocarboxamidine
| Molecular Formula | C13H28N2S |
|---|---|
| Molecular Weight | 244.20 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 244.19733 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 51253-51-1 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=N)N |
| InChIKey | KIRRTPIRNCBRPG-UHFFFAOYSA-N |
Product Overview
Dodecyl carbamimidothioate (CAS 51253-51-1), with molecular formula C13H28N2S and molecular weight 244.20 g/mol. IUPAC: dodecyl carbamimidothioate.
Chemical Property Profile of Dodecyl carbamimidothioate
Property Insights of Dodecyl carbamimidothioate
The XLogP value of 5.8 indicates that Dodecyl 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 Dodecyl carbamimidothioate. Following Lipinski's Rule of Five, Dodecyl carbamimidothioate 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 Dodecyl carbamimidothioate?
The CAS number of Dodecyl carbamimidothioate is 51253-51-1.
What is the molecular formula of Dodecyl carbamimidothioate?
The molecular formula of Dodecyl carbamimidothioate is C13H28N2S.
What is the molecular weight of Dodecyl carbamimidothioate?
The molecular weight of Dodecyl carbamimidothioate is 244.20 g/mol.
Where can I buy Dodecyl carbamimidothioate?
You can request a quote for Dodecyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.