1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea
TL;DR: 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea (CAS 67027-06-9) is a chemical compound with molecular formula C12H19N3S and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylthiourea
Also Known As: EINECS 266-553-7, 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea, 1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylthiourea, Thiourea,N-4-pyridinyl-N'-(1,2,2-trimethylpropyl)-, N-(4-Pyridinyl)-N -(1,2,2-trimethylpropyl)thiourea
| Molecular Formula | C12H19N3S |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 2.8026 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.12997 |
| Heavy Atoms | 16 |
| Complexity | 343.03156 |
Chemical Identifiers
| CAS Number | 67027-06-9 |
|---|---|
| SMILES | CC(C(C)(C)C)NC(=S)NC1=CC=NC=C1 |
Product Overview
1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea (CAS 67027-06-9), with molecular formula C12H19N3S and molecular weight 237.13 g/mol. IUPAC: 1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylthiourea.
Chemical Property Profile of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea
Property Insights of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea
The XLogP value of 2.8026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea has 2 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 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea?
The CAS number of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea is 67027-06-9.
What is the molecular formula of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea?
The molecular formula of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea is C12H19N3S.
What is the molecular weight of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea?
The molecular weight of 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea is 237.13 g/mol.
Where can I buy 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea?
You can request a quote for 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridyl)-3-(1,2,2-trimethylpropyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.