5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol (CAS 4858-31-5) is a chemical compound with molecular formula C14H26N2S3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dodecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(dodecylthio)-1,3,4-thiadiazole-2-thiol, 5-DODECYLTHIO[1,3,4]THIADIAZOLE-2-THIOL, 5-octylthio-1,3,4-thiadiazole-2-thiol, 1,3,4-Thiodiazole-2(3H)-thione, 5-dodecylthio-, 5-dodecylsulfanyl-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C14H26N2S3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 6.21369 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 318.12582 |
| Heavy Atoms | 19 |
| Complexity | 359.5731 |
Chemical Identifiers
| CAS Number | 4858-31-5 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NNC(=S)S1 |
Product Overview
5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol (CAS 4858-31-5), with molecular formula C14H26N2S3 and molecular weight 318.13 g/mol. IUPAC: 5-dodecylsulfanyl-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol
The XLogP value of 6.21369 indicates that 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol 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-(Dodecylthio)-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol 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-(Dodecylthio)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol is 4858-31-5.
What is the molecular formula of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol is C14H26N2S3.
What is the molecular weight of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol is 318.13 g/mol.
Where can I buy 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(Dodecylthio)-1,3,4-thiadiazole-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-(Dodecylthio)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dodecylthio)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.