1-Benzyl-3-(3,4-dimethylphenyl)thiourea
TL;DR: 1-Benzyl-3-(3,4-dimethylphenyl)thiourea (CAS 131389-24-7) is a chemical compound with molecular formula C16H18N2S and molecular weight 270.11908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-(3,4-dimethylphenyl)thiourea
Also Known As: 1-benzyl-3-(3,4-dimethylphenyl)thiourea, BAS 02069850, N-benzyl-N'-(3,4-dimethylphenyl)thiourea, 1-Benzyl-3-(3,4-dimethyl-phenyl)-thiourea, [(3,4-dimethylphenyl)amino][benzylamino]methane-1-thione
Technical Specifications
| Molecular Formula | C16H18N2S |
| Molecular Weight | 270.11908 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.11908 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2)C |
| InChIKey | SWKQHQCUQOALQV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea
Property Insights of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea
The XLogP value of 3.8 indicates that 1-Benzyl-3-(3,4-dimethylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Benzyl-3-(3,4-dimethylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(3,4-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
What is the CAS number of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea?
The CAS number of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea is 131389-24-7.
What is the molecular formula of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea?
The molecular formula of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea is C16H18N2S.
What is the molecular weight of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea?
The molecular weight of 1-Benzyl-3-(3,4-dimethylphenyl)thiourea is 270.11908 g/mol.
Where can I buy 1-Benzyl-3-(3,4-dimethylphenyl)thiourea?
You can request a quote for 1-Benzyl-3-(3,4-dimethylphenyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-(3,4-dimethylphenyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-(3,4-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.