6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide
TL;DR: 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide (CAS 306980-52-9) is a chemical compound with molecular formula C8H4ClN3OS3 and molecular weight 288.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)pyridine-3-carboxamide
Also Known As: 12K-528S, 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide, 6-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)pyridine-3-carboxamide, 6-chloro-N-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)pyridine-3-carboxamide
| Molecular Formula | C8H4ClN3OS3 |
|---|---|
| Molecular Weight | 288.92 g/mol |
| LogP | 3.23479 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.9205 |
| Heavy Atoms | 16 |
| Complexity | 562.40753 |
Chemical Identifiers
| CAS Number | 306980-52-9 |
|---|---|
| SMILES | C1=CC(=NC=C1C(=O)NC2=NC(=S)SS2)Cl |
Product Overview
6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide (CAS 306980-52-9), with molecular formula C8H4ClN3OS3 and molecular weight 288.92 g/mol. IUPAC: 6-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)pyridine-3-carboxamide.
Chemical Property Profile of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide
Property Insights of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide
The XLogP value of 3.23479 indicates that 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide has 1 hydrogen bond donor(s) and 6 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 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide?
The CAS number of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide is 306980-52-9.
What is the molecular formula of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide?
The molecular formula of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide is C8H4ClN3OS3.
What is the molecular weight of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide?
The molecular weight of 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide is 288.92 g/mol.
Where can I buy 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide?
You can request a quote for 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.