![5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol structure](/static/products/313/313272-39-8.png)
5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
TL;DR: 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol (CAS 313272-39-8) is a chemical compound with molecular formula C11H8N2S3 and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-phenylprop-2-ynylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
Also Known As: AB00120569-01, 5-(3-phenylprop-2-ynylsulfanyl)-3H-1,3,4-thiadiazole-2-thione, 5-((3-phenylprop-2-yn-1-yl)thio)-1,3,4-thiadiazole-2(3H)-thione, 5-(3-phenylprop-2-ynylthio)-1,3,4-thiadiazoline-2-thione, 5-[(3-phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C11H8N2S3 |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 3.34449 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.98495 |
| Heavy Atoms | 16 |
| Complexity | 559.9059 |
Chemical Identifiers
| CAS Number | 313272-39-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCSC2=NNC(=S)S2 |
Product Overview
5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol (CAS 313272-39-8), with molecular formula C11H8N2S3 and molecular weight 263.98 g/mol. IUPAC: 5-(3-phenylprop-2-ynylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
Property Insights of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
The XLogP value of 3.34449 indicates that 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-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-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol 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 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol is 313272-39-8.
What is the molecular formula of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol is C11H8N2S3.
What is the molecular weight of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol is 263.98 g/mol.
Where can I buy 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-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-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Phenylprop-2-yn-1-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.