![Benzothiazole, 2-[(phenylmethyl)sulfonyl]- structure](/static/products/672/67219-33-4.png)
Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
TL;DR: Benzothiazole, 2-[(phenylmethyl)sulfonyl]- (CAS 67219-33-4) is a chemical compound with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-1,3-benzothiazole
Also Known As: benzothiazol-2-benzyl sulfone, 2-(Benzylsulfonyl)benzothiazole, 2-[benzylsulfonyl]benzothiazole, 2-(Benzylsulfonyl)benzo[d]thiazole, Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
| Molecular Formula | C14H11NO2S2 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.2702 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.02313 |
| Heavy Atoms | 19 |
| Complexity | 774.59296 |
Chemical Identifiers
| CAS Number | 67219-33-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3S2 |
Product Overview
Benzothiazole, 2-[(phenylmethyl)sulfonyl]- (CAS 67219-33-4), with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol. IUPAC: 2-benzylsulfonyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
Property Insights of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
The XLogP value of 3.2702 indicates that Benzothiazole, 2-[(phenylmethyl)sulfonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.03 Ų, Benzothiazole, 2-[(phenylmethyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[(phenylmethyl)sulfonyl]- has 0 hydrogen bond donor(s) and 4 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-[(phenylmethyl)sulfonyl]-?
The CAS number of Benzothiazole, 2-[(phenylmethyl)sulfonyl]- is 67219-33-4.
What is the molecular formula of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-?
The molecular formula of Benzothiazole, 2-[(phenylmethyl)sulfonyl]- is C14H11NO2S2.
What is the molecular weight of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-?
The molecular weight of Benzothiazole, 2-[(phenylmethyl)sulfonyl]- is 289.02 g/mol.
Where can I buy Benzothiazole, 2-[(phenylmethyl)sulfonyl]-?
You can request a quote for Benzothiazole, 2-[(phenylmethyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(phenylmethyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(phenylmethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.