2(3H)-Benzothiazolethione, 3-(phenylmethyl)-
TL;DR: 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- (CAS 33682-61-0) is a chemical compound with molecular formula C14H11NS2 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,3-benzothiazole-2-thione
Also Known As: 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-, IFLab1_001776, 3-benzyl-1,3-benzothiazole-2-thione, 3-benzylbenzo[d]thiazole-2(3H)-thione, 3-Benzylbenzothiazole-2(3H)-thione
| Molecular Formula | C14H11NS2 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0333 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 33682-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=S |
| InChIKey | JFMQTWDZYOYDCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzothiazolethione, 3-(phenylmethyl)- (CAS 33682-61-0), with molecular formula C14H11NS2 and molecular weight 257.03 g/mol. IUPAC: 3-benzyl-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-
Property Insights of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-
The XLogP value of 4.0 indicates that 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- has 0 hydrogen bond donor(s) and 2 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(3H)-Benzothiazolethione, 3-(phenylmethyl)-?
The CAS number of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- is 33682-61-0.
What is the molecular formula of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-?
The molecular formula of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- is C14H11NS2.
What is the molecular weight of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-?
The molecular weight of 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- is 257.03 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-?
You can request a quote for 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, 3-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, 3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.