3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione (CAS 1711-75-7) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2-thione
Also Known As: 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione, 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2-thione
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.82239 |
| Topological Polar Surface Area | 51.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 475.05722 |
Chemical Identifiers
| CAS Number | 1711-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=S)O2)CO |
Product Overview
3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione (CAS 1711-75-7), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 1.82239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 51.19 Ų, 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 4 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 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione is 1711-75-7.
What is the molecular formula of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione is C9H8N2O2S.
What is the molecular weight of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione is 208.03 g/mol.
Where can I buy 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(hydroxymethyl)-5-phenyl-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.