Octyl carbamimidothioate
TL;DR: Octyl carbamimidothioate (CAS 4270-03-5) is a chemical compound with molecular formula C9H20N2S and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl carbamimidothioate
Also Known As: S-Octylisothiourea, octyl carbamimidothioate, (octylsulfanyl)methanimidamide, Carbamimidothioic acid,octyl ester, monohydrobromide (9CI)
| Molecular Formula | C9H20N2S |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.13472 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 4270-03-5 |
|---|---|
| SMILES | CCCCCCCCSC(=N)N |
| InChIKey | VBTYZGFHHOXNGB-UHFFFAOYSA-N |
Product Overview
Octyl carbamimidothioate (CAS 4270-03-5), with molecular formula C9H20N2S and molecular weight 188.13 g/mol. IUPAC: octyl carbamimidothioate.
Chemical Property Profile of Octyl carbamimidothioate
Property Insights of Octyl carbamimidothioate
The XLogP value of 3.6 indicates that Octyl 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 Octyl carbamimidothioate. Following Lipinski's Rule of Five, Octyl carbamimidothioate has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl carbamimidothioate?
The CAS number of Octyl carbamimidothioate is 4270-03-5.
What is the molecular formula of Octyl carbamimidothioate?
The molecular formula of Octyl carbamimidothioate is C9H20N2S.
What is the molecular weight of Octyl carbamimidothioate?
The molecular weight of Octyl carbamimidothioate is 188.13 g/mol.
Where can I buy Octyl carbamimidothioate?
You can request a quote for Octyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Octyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.