3,6-Diaminothioxanthylium
TL;DR: 3,6-Diaminothioxanthylium (CAS 77969-77-8) is a chemical compound with molecular formula C13H11N2S+ and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-aminothioxanthen-3-ylidene)azanium
Also Known As: 3,6-Diaminothioxanthylium, Thioxanthylium, 3,6-diamino-, 6-Amino-3H-thioxanthen-3-iminium, (6-aminothioxanthen-3-ylidene)azanium, BRN 1380044
| Molecular Formula | C13H11N2S+ |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0643 |
| Heavy Atoms | 16 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 77969-77-8 |
|---|---|
| SMILES | C1=CC(=[NH2+])C=C2C1=CC3=C(S2)C=C(C=C3)N |
| InChIKey | UOGRVKXJRATIIV-UHFFFAOYSA-O |
Product Overview
3,6-Diaminothioxanthylium (CAS 77969-77-8), with molecular formula C13H11N2S+ and molecular weight 227.06 g/mol. IUPAC: (6-aminothioxanthen-3-ylidene)azanium.
Chemical Property Profile of 3,6-Diaminothioxanthylium
Property Insights of 3,6-Diaminothioxanthylium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Diaminothioxanthylium. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Diaminothioxanthylium. Following Lipinski's Rule of Five, 3,6-Diaminothioxanthylium 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 3,6-Diaminothioxanthylium?
The CAS number of 3,6-Diaminothioxanthylium is 77969-77-8.
What is the molecular formula of 3,6-Diaminothioxanthylium?
The molecular formula of 3,6-Diaminothioxanthylium is C13H11N2S+.
What is the molecular weight of 3,6-Diaminothioxanthylium?
The molecular weight of 3,6-Diaminothioxanthylium is 227.06 g/mol.
Where can I buy 3,6-Diaminothioxanthylium?
You can request a quote for 3,6-Diaminothioxanthylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diaminothioxanthylium?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diaminothioxanthylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.