5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol (CAS 16865-27-3) is a chemical compound with molecular formula C6H3N3O3S2 and molecular weight 228.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-nitrofuran-2-yl)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol, Maybridge1_002305, DivK1c_001057, CDS1_000017, 5-(5-Nitrofuran-2-yl)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C6H3N3O3S2 |
|---|---|
| Molecular Weight | 228.96 g/mol |
| LogP | 2.36889 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.96158 |
| Heavy Atoms | 14 |
| Complexity | 526.1642 |
Chemical Identifiers
| CAS Number | 16865-27-3 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=S)S2 |
Product Overview
5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol (CAS 16865-27-3), with molecular formula C6H3N3O3S2 and molecular weight 228.96 g/mol. IUPAC: 5-(5-nitrofuran-2-yl)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.36889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol 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 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol is 16865-27-3.
What is the molecular formula of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol is C6H3N3O3S2.
What is the molecular weight of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol is 228.96 g/mol.
Where can I buy 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.