N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide
TL;DR: N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide (CAS 23405-40-5) is a chemical compound with molecular formula C4H4N2OS3 and molecular weight 191.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide
Also Known As: N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide, N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide, BAS 00071508, N-(3-thioxo-3H-1,2,4-dithiazol-5-yl)acetamide, N-(5-Mercapto-[1,2,4]dithiazol-3-ylidene)-acetamide
| Molecular Formula | C4H4N2OS3 |
|---|---|
| Molecular Weight | 191.95 g/mol |
| LogP | 1.89249 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.94858 |
| Heavy Atoms | 10 |
| Complexity | 288.69284 |
Chemical Identifiers
| CAS Number | 23405-40-5 |
|---|---|
| SMILES | CC(=O)NC1=NC(=S)SS1 |
Product Overview
N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide (CAS 23405-40-5), with molecular formula C4H4N2OS3 and molecular weight 191.95 g/mol. IUPAC: N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)acetamide.
Chemical Property Profile of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide
Property Insights of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide
The XLogP value of 1.89249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide 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 N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide?
The CAS number of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide is 23405-40-5.
What is the molecular formula of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide?
The molecular formula of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide is C4H4N2OS3.
What is the molecular weight of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide?
The molecular weight of N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide is 191.95 g/mol.
Where can I buy N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide?
You can request a quote for N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-sulfanyl-3H-1,2,4-dithiazol-3-ylidene)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.