![4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione structure](/static/products/3082/308298-16-0.webp)
4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 308298-16-0) is a chemical compound with molecular formula C13H12N4S3 and molecular weight 320.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BIM-0001640.P001, 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione, 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, F0786-0011, 3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H12N4S3 |
|---|---|
| Molecular Weight | 320.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0224 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 308298-16-0 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | KSHMTBKLZKORJN-UHFFFAOYSA-N |
Product Overview
4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 308298-16-0), with molecular formula C13H12N4S3 and molecular weight 320.02 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 3.6 indicates that 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione. Following Lipinski's Rule of Five, 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione 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 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione is 308298-16-0.
What is the molecular formula of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione is C13H12N4S3.
What is the molecular weight of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione is 320.02 g/mol.
Where can I buy 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-3-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.