2(3H)-Benzothiazolethione, 3-ethyl-
TL;DR: 2(3H)-Benzothiazolethione, 3-ethyl- (CAS 16407-34-4) is a chemical compound with molecular formula C9H9NS2 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,3-benzothiazole-2-thione
Also Known As: 3-Ethylbenzothiazolin-2-thione, 3-ethyl-1,3-benzothiazole-2-thione, 2(3H)-Benzothiazolethione, 3-ethyl-, 3-Ethyl-2(3H)-benzothiazolethione, 3-ethyl-3H-benzothiazole-2-thione
| Molecular Formula | C9H9NS2 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01764 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 16407-34-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=S |
| InChIKey | HNQNFZRNOJJPFM-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-ethyl- (CAS 16407-34-4), with molecular formula C9H9NS2 and molecular weight 195.02 g/mol. IUPAC: 3-ethyl-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, 3-ethyl-
Property Insights of 2(3H)-Benzothiazolethione, 3-ethyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolethione, 3-ethyl-. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolethione, 3-ethyl-. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 3-ethyl- 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-ethyl-?
The CAS number of 2(3H)-Benzothiazolethione, 3-ethyl- is 16407-34-4.
What is the molecular formula of 2(3H)-Benzothiazolethione, 3-ethyl-?
The molecular formula of 2(3H)-Benzothiazolethione, 3-ethyl- is C9H9NS2.
What is the molecular weight of 2(3H)-Benzothiazolethione, 3-ethyl-?
The molecular weight of 2(3H)-Benzothiazolethione, 3-ethyl- is 195.02 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 3-ethyl-?
You can request a quote for 2(3H)-Benzothiazolethione, 3-ethyl- 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-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.