N,N'-Bis(3-pyridinylmethyl)thiourea
TL;DR: N,N'-Bis(3-pyridinylmethyl)thiourea (CAS 6965-01-1) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(pyridin-3-ylmethyl)thiourea
Also Known As: 1,3-bis(pyridin-3-ylmethyl)thiourea, N,N'-Bis(3-pyridinylmethyl)thiourea, 1,3-bis[(pyridin-3-yl)methyl]thiourea, 1,3-Bis-pyridin-3-ylmethyl-thiourea, 1,3-Bis(3-pyridylmethyl)-2-thiourea
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 6965-01-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=S)NCC2=CN=CC=C2 |
| InChIKey | KWZKQWNJGMWSDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Bis(3-pyridinylmethyl)thiourea (CAS 6965-01-1), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 1,3-bis(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of N,N'-Bis(3-pyridinylmethyl)thiourea
Property Insights of N,N'-Bis(3-pyridinylmethyl)thiourea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(3-pyridinylmethyl)thiourea. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(3-pyridinylmethyl)thiourea. Following Lipinski's Rule of Five, N,N'-Bis(3-pyridinylmethyl)thiourea has 2 hydrogen bond donor(s) and 3 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(3-pyridinylmethyl)thiourea?
The CAS number of N,N'-Bis(3-pyridinylmethyl)thiourea is 6965-01-1.
What is the molecular formula of N,N'-Bis(3-pyridinylmethyl)thiourea?
The molecular formula of N,N'-Bis(3-pyridinylmethyl)thiourea is C13H14N4S.
What is the molecular weight of N,N'-Bis(3-pyridinylmethyl)thiourea?
The molecular weight of N,N'-Bis(3-pyridinylmethyl)thiourea is 258.09 g/mol.
Where can I buy N,N'-Bis(3-pyridinylmethyl)thiourea?
You can request a quote for N,N'-Bis(3-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,N'-Bis(3-pyridinylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(3-pyridinylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.