1-Benzyl-3-(2,3-dimethylphenyl)thiourea
TL;DR: 1-Benzyl-3-(2,3-dimethylphenyl)thiourea (CAS 131389-20-3) is a chemical compound with molecular formula C16H18N2S and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2,3-dimethylphenyl)thiourea
Also Known As: 1-benzyl-3-(2,3-dimethylphenyl)thiourea, N-benzyl-N'-(2,3-dimethylphenyl)thiourea, (e)-n-benzyl-n'-(2,3-dimethylphenyl)carbamimidothioic acid, [(2,3-dimethylphenyl)amino][benzylamino]methane-1-thione, A3029/0127784
| Molecular Formula | C16H18N2S |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 3.79004 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.11908 |
| Heavy Atoms | 19 |
| Complexity | 564.21655 |
Chemical Identifiers
| CAS Number | 131389-20-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)NCC2=CC=CC=C2)C |
Product Overview
1-Benzyl-3-(2,3-dimethylphenyl)thiourea (CAS 131389-20-3), with molecular formula C16H18N2S and molecular weight 270.12 g/mol. IUPAC: 1-benzyl-3-(2,3-dimethylphenyl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea
Property Insights of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea
The XLogP value of 3.79004 indicates that 1-Benzyl-3-(2,3-dimethylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Benzyl-3-(2,3-dimethylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(2,3-dimethylphenyl)thiourea 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 1-Benzyl-3-(2,3-dimethylphenyl)thiourea?
The CAS number of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea is 131389-20-3.
What is the molecular formula of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea?
The molecular formula of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea is C16H18N2S.
What is the molecular weight of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea?
The molecular weight of 1-Benzyl-3-(2,3-dimethylphenyl)thiourea is 270.12 g/mol.
Where can I buy 1-Benzyl-3-(2,3-dimethylphenyl)thiourea?
You can request a quote for 1-Benzyl-3-(2,3-dimethylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(2,3-dimethylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(2,3-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.