5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 170020-86-7) is a chemical compound with molecular formula C7H7N3OS and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-methylpyrrol-2-yl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol, 5-(1-methylpyrrol-2-yl)-3H-1,3,4-oxadiazole-2-thione, 11P-019
| Molecular Formula | C7H7N3OS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 1.73769 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.03099 |
| Heavy Atoms | 12 |
| Complexity | 439.19614 |
Chemical Identifiers
| CAS Number | 170020-86-7 |
|---|---|
| SMILES | CN1C=CC=C1C2=NNC(=S)O2 |
Product Overview
5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 170020-86-7), with molecular formula C7H7N3OS and molecular weight 181.03 g/mol. IUPAC: 5-(1-methylpyrrol-2-yl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 1.73769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 46.75 Ų, 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 3 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-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol is 170020-86-7.
What is the molecular formula of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol is C7H7N3OS.
What is the molecular weight of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol is 181.03 g/mol.
Where can I buy 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(1-methyl-1H-pyrrol-2-yl)-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-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.