![2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole structure](/static/products/3390/339096-06-9.webp)
2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
TL;DR: 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole (CAS 339096-06-9) is a chemical compound with molecular formula C21H17NS2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(3-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole
Also Known As: 2-(3-{[(3-methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole, 8G-412S, 2-[3-[(3-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole, 2-[3-[(3-methylphenyl)sulfanylmethyl]phenyl]benzothiazole
| Molecular Formula | C21H17NS2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 6.56402 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08023 |
| Heavy Atoms | 24 |
| Complexity | 954.73444 |
Chemical Identifiers
| CAS Number | 339096-06-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SCC2=CC(=CC=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole (CAS 339096-06-9), with molecular formula C21H17NS2 and molecular weight 347.08 g/mol. IUPAC: 2-[3-[(3-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole.
Chemical Property Profile of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
Property Insights of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole
The XLogP value of 6.56402 indicates that 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The CAS number of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is 339096-06-9.
What is the molecular formula of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is C21H17NS2.
What is the molecular weight of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is 347.08 g/mol.
Where can I buy 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-{[(3-Methylphenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.