4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine
TL;DR: 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine (CAS 159753-47-6) is a chemical compound with molecular formula C4HClN4S3 and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,3,4-thiadiazol-2-yl)dithiazol-5-imine
Also Known As: ML096 Analog, 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine, 4-chloro-N-(1,3,4-thiadiazol-2-yl)dithiazol-5-imine, 4-Chloro-N-(1,3,4-thiadiazol-2-yl)-5H-1,2,3-dithiazol-5-imine, N-(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)-1,3,4-thiadiazol-2-amine
| Molecular Formula | C4HClN4S3 |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 1.9419 |
| Topological Polar Surface Area | 51.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.90518 |
| Heavy Atoms | 12 |
| Complexity | 415.44977 |
Chemical Identifiers
| CAS Number | 159753-47-6 |
|---|---|
| SMILES | C1=NN=C(S1)N=C2C(=NSS2)Cl |
Product Overview
4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine (CAS 159753-47-6), with molecular formula C4HClN4S3 and molecular weight 235.91 g/mol. IUPAC: 4-chloro-N-(1,3,4-thiadiazol-2-yl)dithiazol-5-imine.
Chemical Property Profile of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine
Property Insights of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine
The XLogP value of 1.9419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine. With a topological polar surface area (TPSA) of 51.03 Ų, 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine has 0 hydrogen bond donor(s) and 7 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 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine?
The CAS number of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine is 159753-47-6.
What is the molecular formula of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine?
The molecular formula of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine is C4HClN4S3.
What is the molecular weight of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine?
The molecular weight of 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine is 235.91 g/mol.
Where can I buy 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine?
You can request a quote for 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.