4-Ethoxybenzyl carbamimidothioate
TL;DR: 4-Ethoxybenzyl carbamimidothioate (CAS 439946-30-2) is a chemical compound with molecular formula C10H14N2OS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl)methyl carbamimidothioate
Also Known As: 4-ethoxybenzyl carbamimidothioate, Carbamimidothioicacid, methylester, 2-(4-Ethoxy-benzyl)-isothiourea, BAS 02592395, (4-ethoxyphenyl)methyl carbamimidothioate
| Molecular Formula | C10H14N2OS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.21197 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.08269 |
| Heavy Atoms | 14 |
| Complexity | 297.49524 |
Chemical Identifiers
| CAS Number | 439946-30-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CSC(=N)N |
Product Overview
4-Ethoxybenzyl carbamimidothioate (CAS 439946-30-2), with molecular formula C10H14N2OS and molecular weight 210.08 g/mol. IUPAC: (4-ethoxyphenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Ethoxybenzyl carbamimidothioate
Property Insights of 4-Ethoxybenzyl carbamimidothioate
The XLogP value of 2.21197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxybenzyl carbamimidothioate. With a topological polar surface area (TPSA) of 59.1 Ų, 4-Ethoxybenzyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxybenzyl carbamimidothioate has 2 hydrogen bond donor(s) and 3 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 4-Ethoxybenzyl carbamimidothioate?
The CAS number of 4-Ethoxybenzyl carbamimidothioate is 439946-30-2.
What is the molecular formula of 4-Ethoxybenzyl carbamimidothioate?
The molecular formula of 4-Ethoxybenzyl carbamimidothioate is C10H14N2OS.
What is the molecular weight of 4-Ethoxybenzyl carbamimidothioate?
The molecular weight of 4-Ethoxybenzyl carbamimidothioate is 210.08 g/mol.
Where can I buy 4-Ethoxybenzyl carbamimidothioate?
You can request a quote for 4-Ethoxybenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxybenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxybenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.