1,10-Phenanthroline-2-carbothioamide
TL;DR: 1,10-Phenanthroline-2-carbothioamide (CAS 40480-38-4) is a chemical compound with molecular formula C13H9N3S and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,10-phenanthroline-2-carbothioamide
Also Known As: 1,10-phenanthroline-2-carbothioamide, [1,10]phenanthroline-2-carbothioamide, J1.362.463A
| Molecular Formula | C13H9N3S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 2.4172 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05171 |
| Heavy Atoms | 17 |
| Complexity | 736.8986 |
Chemical Identifiers
| CAS Number | 40480-38-4 |
|---|---|
| SMILES | C1=CC2=C(C3=C(C=C2)C=CC(=N3)C(=S)N)N=C1 |
Product Overview
1,10-Phenanthroline-2-carbothioamide (CAS 40480-38-4), with molecular formula C13H9N3S and molecular weight 239.05 g/mol. IUPAC: 1,10-phenanthroline-2-carbothioamide.
Chemical Property Profile of 1,10-Phenanthroline-2-carbothioamide
Property Insights of 1,10-Phenanthroline-2-carbothioamide
The XLogP value of 2.4172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,10-Phenanthroline-2-carbothioamide. With a topological polar surface area (TPSA) of 51.8 Ų, 1,10-Phenanthroline-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,10-Phenanthroline-2-carbothioamide has 1 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 1,10-Phenanthroline-2-carbothioamide?
The CAS number of 1,10-Phenanthroline-2-carbothioamide is 40480-38-4.
What is the molecular formula of 1,10-Phenanthroline-2-carbothioamide?
The molecular formula of 1,10-Phenanthroline-2-carbothioamide is C13H9N3S.
What is the molecular weight of 1,10-Phenanthroline-2-carbothioamide?
The molecular weight of 1,10-Phenanthroline-2-carbothioamide is 239.05 g/mol.
Where can I buy 1,10-Phenanthroline-2-carbothioamide?
You can request a quote for 1,10-Phenanthroline-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,10-Phenanthroline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1,10-Phenanthroline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.