N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea
TL;DR: N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea (CAS 95600-07-0) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[methyl(phenyl)carbamothioyl]propanamide
Also Known As: N-methylphenyl-N'-pivaloylthiourea, N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea, J3.505.308E, 2,2-dimethyl-N-[methyl(phenyl)carbamothioyl]propanamide, AB-601/30968006
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 409.17767 |
Chemical Identifiers
| CAS Number | 95600-07-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(=S)N(C)C1=CC=CC=C1 |
Product Overview
N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea (CAS 95600-07-0), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 2,2-dimethyl-N-[methyl(phenyl)carbamothioyl]propanamide.
Chemical Property Profile of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea
Property Insights of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea. With a topological polar surface area (TPSA) of 32.34 Ų, N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea has 1 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'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea?
The CAS number of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea is 95600-07-0.
What is the molecular formula of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea?
The molecular formula of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea is C13H18N2OS.
What is the molecular weight of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea?
The molecular weight of N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea is 250.11 g/mol.
Where can I buy N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea?
You can request a quote for N'-(2,2-dimethylpropanoyl)-N-methyl-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'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(2,2-dimethylpropanoyl)-N-methyl-N-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.