N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea
TL;DR: N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea (CAS 2654-06-0) is a chemical compound with molecular formula C11H16N2OS and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-hydroxy-2-methylpropan-2-yl)-3-phenylthiourea
Also Known As: 1- -3-PHENYLTHIOUREA, J1.194.932K, 3-(1-hydroxy-2-methylpropan-2-yl)-1-phenylthiourea, N-[(1,1-dimethyl-2-hydroxy)ethyl]-N'-phenylthiourea, 1-Phenyl-3-(1,1-dimethyl-2-hydroxyethyl)thiourea
| Molecular Formula | C11H16N2OS |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.7439 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09833 |
| Heavy Atoms | 15 |
| Complexity | 324.61963 |
Chemical Identifiers
| CAS Number | 2654-06-0 |
|---|---|
| SMILES | CC(C)(CO)NC(=S)NC1=CC=CC=C1 |
Product Overview
N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea (CAS 2654-06-0), with molecular formula C11H16N2OS and molecular weight 224.10 g/mol. IUPAC: 1-(1-hydroxy-2-methylpropan-2-yl)-3-phenylthiourea.
Chemical Property Profile of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea
Property Insights of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea
The XLogP value of 1.7439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea. With a topological polar surface area (TPSA) of 44.29 Ų, N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea has 3 hydrogen bond donor(s) and 2 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 N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea?
The CAS number of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea is 2654-06-0.
What is the molecular formula of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea?
The molecular formula of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea is C11H16N2OS.
What is the molecular weight of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea?
The molecular weight of N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea is 224.10 g/mol.
Where can I buy N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea?
You can request a quote for N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.