1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- (CAS 66473-10-7) is a chemical compound with molecular formula C9H16N2OS and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-Heptyl-1,3,4-oxadiazole-2(3H)-thione, 5-heptyl-3H-1,3,4-oxadiazole-2-thione, EINECS 266-377-0, 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-, 2-Mercapto-5-heptyloxadiazole
| Molecular Formula | C9H16N2OS |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 3.24509 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.09833 |
| Heavy Atoms | 13 |
| Complexity | 279.14212 |
Chemical Identifiers
| CAS Number | 66473-10-7 |
|---|---|
| SMILES | CCCCCCCC1=NNC(=S)O1 |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- (CAS 66473-10-7), with molecular formula C9H16N2OS and molecular weight 200.10 g/mol. IUPAC: 5-heptyl-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-
The XLogP value of 3.24509 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- 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 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- is 66473-10-7.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- is C9H16N2OS.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- is 200.10 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.