A 1110U
TL;DR: A 1110U (CAS 96860-23-0) is a chemical compound with molecular formula C11H16N6S2 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]thiourea
Also Known As: A 1110U, A-1110U, 5-((Dimethylamino)thiocarbonyl)thiocarbonohydrazone, 1,1-dimethyl-3-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]thiourea, 1,1-Dimethyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
| Molecular Formula | C11H16N6S2 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 0.6208 |
| Topological Polar Surface Area | 64.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0878 |
| Heavy Atoms | 19 |
| Complexity | 471.33356 |
Chemical Identifiers
| CAS Number | 96860-23-0 |
|---|---|
| SMILES | CC(=NNC(=S)NNC(=S)N(C)C)C1=CC=CC=N1 |
Product Overview
A 1110U (CAS 96860-23-0), with molecular formula C11H16N6S2 and molecular weight 296.09 g/mol. IUPAC: 1,1-dimethyl-3-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]thiourea.
Chemical Property Profile of A 1110U
Property Insights of A 1110U
The XLogP value of 0.6208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 1110U. The TPSA of 64.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A 1110U. Following Lipinski's Rule of Five, A 1110U has 3 hydrogen bond donor(s) and 4 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 A 1110U?
The CAS number of A 1110U is 96860-23-0.
What is the molecular formula of A 1110U?
The molecular formula of A 1110U is C11H16N6S2.
What is the molecular weight of A 1110U?
The molecular weight of A 1110U is 296.09 g/mol.
Where can I buy A 1110U?
You can request a quote for A 1110U directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 1110U?
Yes, KEHONG BIO provides custom synthesis services for A 1110U and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.