3-Benzyl-1-methylthiourea
TL;DR: 3-Benzyl-1-methylthiourea (CAS 2740-94-5) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-methylthiourea
Also Known As: 1-Benzyl-3-methyl-2-thiourea, 1-benzyl-3-methylthiourea, 3-Benzyl-1-methylthiourea, 1-methyl-3-benzyl thiourea, N-Benzyl-N'-methylthiourea
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.2805 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 245.96527 |
Chemical Identifiers
| CAS Number | 2740-94-5 |
|---|---|
| SMILES | CNC(=S)NCC1=CC=CC=C1 |
Product Overview
3-Benzyl-1-methylthiourea (CAS 2740-94-5), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 1-benzyl-3-methylthiourea.
Chemical Property Profile of 3-Benzyl-1-methylthiourea
Property Insights of 3-Benzyl-1-methylthiourea
The XLogP value of 1.2805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1-methylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 3-Benzyl-1-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-methylthiourea has 2 hydrogen bond donor(s) and 1 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 3-Benzyl-1-methylthiourea?
The CAS number of 3-Benzyl-1-methylthiourea is 2740-94-5.
What is the molecular formula of 3-Benzyl-1-methylthiourea?
The molecular formula of 3-Benzyl-1-methylthiourea is C9H12N2S.
What is the molecular weight of 3-Benzyl-1-methylthiourea?
The molecular weight of 3-Benzyl-1-methylthiourea is 180.07 g/mol.
Where can I buy 3-Benzyl-1-methylthiourea?
You can request a quote for 3-Benzyl-1-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.