1-(3-Methoxybenzyl)-2-thiourea
TL;DR: 1-(3-Methoxybenzyl)-2-thiourea (CAS 90556-79-9) 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.
(3-methoxyphenyl)methylthiourea
Also Known As: 1-(3-Methoxybenzyl)-2-thiourea, (3-methoxyphenyl)methylthiourea, 1-(3-Methoxybenzyl)thiourea, 3-methoxybenzyl thiourea, N-(3-Methoxybenzyl)thiourea
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.0284 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 301.4211 |
Chemical Identifiers
| CAS Number | 90556-79-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC(=S)N |
Product Overview
1-(3-Methoxybenzyl)-2-thiourea (CAS 90556-79-9), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: (3-methoxyphenyl)methylthiourea.
Chemical Property Profile of 1-(3-Methoxybenzyl)-2-thiourea
Property Insights of 1-(3-Methoxybenzyl)-2-thiourea
The XLogP value of 1.0284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxybenzyl)-2-thiourea. With a topological polar surface area (TPSA) of 47.28 Ų, 1-(3-Methoxybenzyl)-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxybenzyl)-2-thiourea 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 1-(3-Methoxybenzyl)-2-thiourea?
The CAS number of 1-(3-Methoxybenzyl)-2-thiourea is 90556-79-9.
What is the molecular formula of 1-(3-Methoxybenzyl)-2-thiourea?
The molecular formula of 1-(3-Methoxybenzyl)-2-thiourea is C9H12N2OS.
What is the molecular weight of 1-(3-Methoxybenzyl)-2-thiourea?
The molecular weight of 1-(3-Methoxybenzyl)-2-thiourea is 196.07 g/mol.
Where can I buy 1-(3-Methoxybenzyl)-2-thiourea?
You can request a quote for 1-(3-Methoxybenzyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxybenzyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxybenzyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.