![2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole structure](/static/products/1004/100498-95-1.webp)
2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole
TL;DR: 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole (CAS 100498-95-1) is a chemical compound with molecular formula C15H13NS2 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: TimTec1_000504, 2-(4-Methylbenzylthio)benzothiazole, 2-[(4-methylbenzyl)sulfanyl]-1,3-benzothiazole, 2-[(4-Methylbenzyl)thio]benzothiazole, 2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazole
| Molecular Formula | C15H13NS2 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.04895 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 100498-95-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | OUNODDYGLXFOHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole (CAS 100498-95-1), with molecular formula C15H13NS2 and molecular weight 271.05 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole
Property Insights of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole
The XLogP value of 5.0 indicates that 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole has 0 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 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole?
The CAS number of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole is 100498-95-1.
What is the molecular formula of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole?
The molecular formula of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole is C15H13NS2.
What is the molecular weight of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole?
The molecular weight of 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole is 271.05 g/mol.
Where can I buy 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole?
You can request a quote for 2-[(4-Methylbenzyl)sulfanyl]-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-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylbenzyl)sulfanyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.