Benzothiazole, 2-(3-methylbenzylthio)-
TL;DR: Benzothiazole, 2-(3-methylbenzylthio)- (CAS 537018-37-4) 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-[(3-methylphenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: Benzothiazole, 2-(3-methylbenzylthio)-, 1,3-Benzothiazol-2-yl 3-methylbenzyl sulfide, 1,3-Benzothiazol-2-yl 3-methylbenzyl sulfide #, 2-[(3-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 | 271.0 |
Chemical Identifiers
| CAS Number | 537018-37-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | FVXUYMZWNKQDGV-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-(3-methylbenzylthio)- (CAS 537018-37-4), with molecular formula C15H13NS2 and molecular weight 271.05 g/mol. IUPAC: 2-[(3-methylphenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(3-methylbenzylthio)-
Property Insights of Benzothiazole, 2-(3-methylbenzylthio)-
The XLogP value of 5.0 indicates that Benzothiazole, 2-(3-methylbenzylthio)- 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 Benzothiazole, 2-(3-methylbenzylthio)-. Following Lipinski's Rule of Five, Benzothiazole, 2-(3-methylbenzylthio)- 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 Benzothiazole, 2-(3-methylbenzylthio)-?
The CAS number of Benzothiazole, 2-(3-methylbenzylthio)- is 537018-37-4.
What is the molecular formula of Benzothiazole, 2-(3-methylbenzylthio)-?
The molecular formula of Benzothiazole, 2-(3-methylbenzylthio)- is C15H13NS2.
What is the molecular weight of Benzothiazole, 2-(3-methylbenzylthio)-?
The molecular weight of Benzothiazole, 2-(3-methylbenzylthio)- is 271.05 g/mol.
Where can I buy Benzothiazole, 2-(3-methylbenzylthio)-?
You can request a quote for Benzothiazole, 2-(3-methylbenzylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(3-methylbenzylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(3-methylbenzylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.