N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea
TL;DR: N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea (CAS 6959-72-4) is a chemical compound with molecular formula C17H36N2S and molecular weight 300.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea
Also Known As: 1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea, N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea, 1,3-bis(1,1,3,3-tetramethylbutyl)thiourea, Urea, 1,3-bis(1,1,3,3-tetra-methylbutyl)-2-thio-
| Molecular Formula | C17H36N2S |
|---|---|
| Molecular Weight | 300.26 g/mol |
| LogP | 4.8801 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.25992 |
| Heavy Atoms | 20 |
| Complexity | 297.8796 |
Chemical Identifiers
| CAS Number | 6959-72-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=S)NC(C)(C)CC(C)(C)C |
Product Overview
N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea (CAS 6959-72-4), with molecular formula C17H36N2S and molecular weight 300.26 g/mol. IUPAC: 1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea.
Chemical Property Profile of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea
Property Insights of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea
The XLogP value of 4.8801 indicates that N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Bis(2,4,4-trimethylpentan-2-yl)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
Frequently Asked Questions
What is the CAS number of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea?
The CAS number of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea is 6959-72-4.
What is the molecular formula of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea?
The molecular formula of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea is C17H36N2S.
What is the molecular weight of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea?
The molecular weight of N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea is 300.26 g/mol.
Where can I buy N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea?
You can request a quote for N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(2,4,4-trimethylpentan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.