1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine
TL;DR: 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine (CAS 507455-39-2) is a chemical compound with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine
Also Known As: 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine, isonicotinaldehyde (1,1-dioxidotetrahydro-3-thienyl)hydrazone
| Molecular Formula | C10H13N3O2S |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 0.1922 |
| Topological Polar Surface Area | 71.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.07285 |
| Heavy Atoms | 16 |
| Complexity | 470.09732 |
Chemical Identifiers
| CAS Number | 507455-39-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NN=CC2=CC=NC=C2 |
Product Overview
1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine (CAS 507455-39-2), with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol. IUPAC: 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine.
Chemical Property Profile of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine
Property Insights of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine
The XLogP value of 0.1922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine. The TPSA of 71.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine. Following Lipinski's Rule of Five, 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine has 1 hydrogen bond donor(s) and 5 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 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine?
The CAS number of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine is 507455-39-2.
What is the molecular formula of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine?
The molecular formula of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine is C10H13N3O2S.
What is the molecular weight of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine?
The molecular weight of 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine is 239.07 g/mol.
Where can I buy 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine?
You can request a quote for 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-dioxo-N-(pyridin-4-ylmethylideneamino)thiolan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.