delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-
TL;DR: delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- (CAS 23969-17-7) is a chemical compound with molecular formula C3H5N3S2 and molecular weight 146.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(sulfanylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 1,2-Dihydro-5-(mercaptomethyl)-3H-1,2,4-triazole-3-thione, 5-Mercaptomethyl-1,2,4-triazolthion-3, 3-(Mercaptomethyl)-delta(sup 2)-1,2,4-triazoline-5-thione, delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(mercaptomethyl)-
| Molecular Formula | C3H5N3S2 |
|---|---|
| Molecular Weight | 146.99 g/mol |
| LogP | 0.89709 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.9925 |
| Heavy Atoms | 8 |
| Complexity | 212.30315 |
Chemical Identifiers
| CAS Number | 23969-17-7 |
|---|---|
| SMILES | C(C1=NC(=S)NN1)S |
Product Overview
delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- (CAS 23969-17-7), with molecular formula C3H5N3S2 and molecular weight 146.99 g/mol. IUPAC: 5-(sulfanylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-
Property Insights of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-
The XLogP value of 0.89709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-. With a topological polar surface area (TPSA) of 44.47 Ų, delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- has 3 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 delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-?
The CAS number of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- is 23969-17-7.
What is the molecular formula of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-?
The molecular formula of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- is C3H5N3S2.
What is the molecular weight of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-?
The molecular weight of delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- is 146.99 g/mol.
Where can I buy delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-?
You can request a quote for delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for delta(sup 3)-1,2,4-Triazoline-5-thione, 3-(mercaptomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.