2-(4-Methoxybenzyl)isothiourea
TL;DR: 2-(4-Methoxybenzyl)isothiourea (CAS 46234-22-4) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl carbamimidothioate
Also Known As: S-(4-methoxybenzyl)isothiourea, 2-(4-methoxybenzyl)isothiourea, NCIOpen2_002954, (4-methoxyphenyl)methyl carbamimidothioate, S-(4-Methoxybenzyl)isothiourea hydrochloride
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 46234-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC(=N)N |
| InChIKey | UZINFBQPZVMBMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxybenzyl)isothiourea (CAS 46234-22-4), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: (4-methoxyphenyl)methyl carbamimidothioate.
Chemical Property Profile of 2-(4-Methoxybenzyl)isothiourea
Property Insights of 2-(4-Methoxybenzyl)isothiourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxybenzyl)isothiourea. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxybenzyl)isothiourea. Following Lipinski's Rule of Five, 2-(4-Methoxybenzyl)isothiourea 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 2-(4-Methoxybenzyl)isothiourea?
The CAS number of 2-(4-Methoxybenzyl)isothiourea is 46234-22-4.
What is the molecular formula of 2-(4-Methoxybenzyl)isothiourea?
The molecular formula of 2-(4-Methoxybenzyl)isothiourea is C9H12N2OS.
What is the molecular weight of 2-(4-Methoxybenzyl)isothiourea?
The molecular weight of 2-(4-Methoxybenzyl)isothiourea is 196.07 g/mol.
Where can I buy 2-(4-Methoxybenzyl)isothiourea?
You can request a quote for 2-(4-Methoxybenzyl)isothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxybenzyl)isothiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxybenzyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.