Carbamimidothioic acid, octyl ester, hydrochloride (1:1)
TL;DR: Carbamimidothioic acid, octyl ester, hydrochloride (1:1) (CAS 3544-29-4) is a chemical compound with molecular formula C9H21ClN2S and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl carbamimidothioate;hydrochloride
Also Known As: Octylthiouronium chloride, Octylthiuronium chloride, S-Octylthiuronium chloride, S-Octylisothiourea hydrochloride, octyl carbamimidothioate hydrochloride
| Molecular Formula | C9H21ClN2S |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.1114 |
| Heavy Atoms | 13 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3544-29-4 |
|---|---|
| SMILES | CCCCCCCCSC(=N)N.Cl |
| InChIKey | NDQKEVRWEXNJCO-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, octyl ester, hydrochloride (1:1) (CAS 3544-29-4), with molecular formula C9H21ClN2S and molecular weight 224.11 g/mol. IUPAC: octyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, octyl ester, hydrochloride (1:1)
Property Insights of Carbamimidothioic acid, octyl ester, hydrochloride (1:1)
The XLogP value of 3.4 indicates that Carbamimidothioic acid, octyl ester, hydrochloride (1:1) 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 Carbamimidothioic acid, octyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Carbamimidothioic acid, octyl ester, hydrochloride (1:1) has 3 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 Carbamimidothioic acid, octyl ester, hydrochloride (1:1)?
The CAS number of Carbamimidothioic acid, octyl ester, hydrochloride (1:1) is 3544-29-4.
What is the molecular formula of Carbamimidothioic acid, octyl ester, hydrochloride (1:1)?
The molecular formula of Carbamimidothioic acid, octyl ester, hydrochloride (1:1) is C9H21ClN2S.
What is the molecular weight of Carbamimidothioic acid, octyl ester, hydrochloride (1:1)?
The molecular weight of Carbamimidothioic acid, octyl ester, hydrochloride (1:1) is 224.11 g/mol.
Where can I buy Carbamimidothioic acid, octyl ester, hydrochloride (1:1)?
You can request a quote for Carbamimidothioic acid, octyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, octyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, octyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.