![Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- structure](/static/products/890/89036-39-5.png)
Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-
TL;DR: Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- (CAS 89036-39-5) is a chemical compound with molecular formula C18H13NS2 and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazole
Also Known As: TimTec1_000507, 2-(naphthylmethylthio)benzothiazole, Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-, 2-(Naphthalen-1-ylmethylsulfanyl)-benzothiazole, 2-((naphthalen-1-ylmethyl)thio)benzo[d]thiazole
| Molecular Formula | C18H13NS2 |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.04895 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 89036-39-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4S3 |
| InChIKey | YFVKWQCDKIIVGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- (CAS 89036-39-5), with molecular formula C18H13NS2 and molecular weight 307.05 g/mol. IUPAC: 2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-
Property Insights of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-
The XLogP value of 6.0 indicates that Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- 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-[(1-naphthalenylmethyl)thio]-. Following Lipinski's Rule of Five, Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- 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 Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-?
The CAS number of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- is 89036-39-5.
What is the molecular formula of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-?
The molecular formula of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- is C18H13NS2.
What is the molecular weight of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-?
The molecular weight of Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- is 307.05 g/mol.
Where can I buy Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-?
You can request a quote for Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(1-naphthalenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(1-naphthalenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.