1-(4-Methylbenzyl)-2-thiourea
TL;DR: 1-(4-Methylbenzyl)-2-thiourea (CAS 103854-74-6) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)methylthiourea
Also Known As: 1-(4-Methylbenzyl)-2-thiourea, 1-(4-Methylbenzyl)thiourea, (4-methylphenyl)methylthiourea, p-tolylmethylthiourea, N-(p-methylbenzyl)thiourea
Technical Specifications
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.07211 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07211 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=S)N |
| InChIKey | UNZSYIMZOJHWNX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methylbenzyl)-2-thiourea
Property Insights of 1-(4-Methylbenzyl)-2-thiourea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzyl)-2-thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylbenzyl)-2-thiourea. Following Lipinski's Rule of Five, 1-(4-Methylbenzyl)-2-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-(4-Methylbenzyl)-2-thiourea?
The CAS number of 1-(4-Methylbenzyl)-2-thiourea is 103854-74-6.
What is the molecular formula of 1-(4-Methylbenzyl)-2-thiourea?
The molecular formula of 1-(4-Methylbenzyl)-2-thiourea is C9H12N2S.
What is the molecular weight of 1-(4-Methylbenzyl)-2-thiourea?
The molecular weight of 1-(4-Methylbenzyl)-2-thiourea is 180.07211 g/mol.
Where can I buy 1-(4-Methylbenzyl)-2-thiourea?
You can request a quote for 1-(4-Methylbenzyl)-2-thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methylbenzyl)-2-thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methylbenzyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.