1-benzyl-3-tert-butylthiourea
TL;DR: 1-benzyl-3-tert-butylthiourea (CAS 14327-01-6) is a chemical compound with molecular formula C12H18N2S and molecular weight 222.11906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-tert-butylthiourea
Also Known As: 1-benzyl-3-tert-butylthiourea, 1-benzyl-3-t-butylthiourea, TimTec1_004096, N-Benzyl-N'-tert-butylthiourea, 1-t-butyl-3-benzylthiocarbamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2S |
| Molecular Weight | 222.11906 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.11906 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | CC(C)(C)NC(=S)NCC1=CC=CC=C1 |
| InChIKey | RLTDXTUGGXRDEW-UHFFFAOYSA-N |
Chemical Property Profile of 1-benzyl-3-tert-butylthiourea
Property Insights of 1-benzyl-3-tert-butylthiourea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-tert-butylthiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-benzyl-3-tert-butylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-tert-butylthiourea 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-tert-butylthiourea?
The CAS number of 1-benzyl-3-tert-butylthiourea is 14327-01-6.
What is the molecular formula of 1-benzyl-3-tert-butylthiourea?
The molecular formula of 1-benzyl-3-tert-butylthiourea is C12H18N2S.
What is the molecular weight of 1-benzyl-3-tert-butylthiourea?
The molecular weight of 1-benzyl-3-tert-butylthiourea is 222.11906 g/mol.
Where can I buy 1-benzyl-3-tert-butylthiourea?
You can request a quote for 1-benzyl-3-tert-butylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-benzyl-3-tert-butylthiourea?
Yes, CoreyChem provides custom synthesis services for 1-benzyl-3-tert-butylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.