5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
TL;DR: 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione (CAS 4858-34-8) is a chemical compound with molecular formula C20H38N2S3 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione, 5-(Octadecylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C20H38N2S3 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 8.55429 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 402.21973 |
| Heavy Atoms | 25 |
| Complexity | 442.14972 |
Chemical Identifiers
| CAS Number | 4858-34-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC1=NNC(=S)S1 |
Product Overview
5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione (CAS 4858-34-8), with molecular formula C20H38N2S3 and molecular weight 402.22 g/mol. IUPAC: 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
Property Insights of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
The XLogP value of 8.55429 indicates that 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The CAS number of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione is 4858-34-8.
What is the molecular formula of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The molecular formula of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione is C20H38N2S3.
What is the molecular weight of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
The molecular weight of 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione is 402.22 g/mol.
Where can I buy 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
You can request a quote for 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-octadecylsulfanyl-3H-1,3,4-thiadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.