5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol (CAS 41910-45-6) is a chemical compound with molecular formula C8H5N3O3S and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thiol, 5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione, 1-Amino-2-methylnaphthaleneHydrochloride, BAS 00654930, GA 4-282
| Molecular Formula | C8H5N3O3S |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | 2.30739 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.00516 |
| Heavy Atoms | 15 |
| Complexity | 560.0096 |
Chemical Identifiers
| CAS Number | 41910-45-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=S)O2 |
Product Overview
5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol (CAS 41910-45-6), with molecular formula C8H5N3O3S and molecular weight 223.01 g/mol. IUPAC: 5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.30739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol 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 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol is 41910-45-6.
What is the molecular formula of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol is C8H5N3O3S.
What is the molecular weight of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol is 223.01 g/mol.
Where can I buy 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(3-Nitrophenyl)-1,3,4-oxadiazole-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-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Nitrophenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.