![3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione structure](/static/products/446/446278-67-7.png)
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione (CAS 446278-67-7) is a chemical compound with molecular formula C16H18N4S3 and molecular weight 362.07 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-cyclohexyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione, 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione, 3-((benzo[d]thiazol-2-ylthio)methyl)-4-cyclohexyl-1H-1,2,4-triazole-5(4H)-thione, 5-(Benzothiazol-2-ylsulfanylmethyl)-4-cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H18N4S3 |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 5.34789 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.06937 |
| Heavy Atoms | 23 |
| Complexity | 824.4629 |
Chemical Identifiers
| CAS Number | 446278-67-7 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)CSC3=NC4=CC=CC=C4S3 |
Product Overview
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione (CAS 446278-67-7), with molecular formula C16H18N4S3 and molecular weight 362.07 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
The XLogP value of 5.34789 indicates that 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione is 446278-67-7.
What is the molecular formula of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione is C16H18N4S3.
What is the molecular weight of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione is 362.07 g/mol.
Where can I buy 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.