3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine
TL;DR: 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine (CAS 838098-49-0) is a chemical compound with molecular formula C5H5N3S2 and molecular weight 170.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-amine
Also Known As: 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine, ASN 07115891, 3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-amine, 3-(2-Propyn-1-ylthio)-1,2,4-thiadiazol-5-amine, 3-(PROP-2-YN-1-YLSULFANYL)-1,2,4-THIADIAZOL-5-AMINE
| Molecular Formula | C5H5N3S2 |
|---|---|
| Molecular Weight | 170.99 g/mol |
| LogP | 0.8456 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.9925 |
| Heavy Atoms | 10 |
| Complexity | 249.6409 |
Chemical Identifiers
| CAS Number | 838098-49-0 |
|---|---|
| SMILES | C#CCSC1=NSC(=N1)N |
Product Overview
3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine (CAS 838098-49-0), with molecular formula C5H5N3S2 and molecular weight 170.99 g/mol. IUPAC: 3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-amine.
Chemical Property Profile of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine
Property Insights of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine
The XLogP value of 0.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine. With a topological polar surface area (TPSA) of 51.8 Ų, 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine has 1 hydrogen bond donor(s) and 5 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-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine?
The CAS number of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine is 838098-49-0.
What is the molecular formula of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine?
The molecular formula of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine is C5H5N3S2.
What is the molecular weight of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine?
The molecular weight of 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine is 170.99 g/mol.
Where can I buy 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine?
You can request a quote for 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Prop-2-yn-1-ylthio)-1,2,4-thiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.