N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea
TL;DR: N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea (CAS 866009-89-4) is a chemical compound with molecular formula C11H17N3S and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(pyridin-4-ylmethyl)thiourea
Also Known As: N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea, 3-tert-butyl-1-[(pyridin-4-yl)methyl]thiourea, 1-tert-butyl-3-(pyridin-4-ylmethyl)thiourea, 1-tert-butyl-3-(4-pyridylmethyl)thiourea, 3-tert-butyl-1-(pyridin-4-ylmethyl)thiourea
| Molecular Formula | C11H17N3S |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 1.8442 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11432 |
| Heavy Atoms | 15 |
| Complexity | 316.35495 |
Chemical Identifiers
| CAS Number | 866009-89-4 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NCC1=CC=NC=C1 |
Product Overview
N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea (CAS 866009-89-4), with molecular formula C11H17N3S and molecular weight 223.11 g/mol. IUPAC: 1-tert-butyl-3-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea
Property Insights of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea
The XLogP value of 1.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea. With a topological polar surface area (TPSA) of 36.95 Ų, N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-N'-(4-pyridinylmethyl)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 N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea?
The CAS number of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea is 866009-89-4.
What is the molecular formula of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea?
The molecular formula of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea is C11H17N3S.
What is the molecular weight of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea?
The molecular weight of N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea is 223.11 g/mol.
Where can I buy N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea?
You can request a quote for N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-N'-(4-pyridinylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.