3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione
TL;DR: 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione (CAS 30761-18-3) is a chemical compound with molecular formula C9H9NS3 and molecular weight 226.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylethyl)-1,3-benzothiazole-2-thione
Also Known As: 3-(2-sulfanylethyl)benzothiazole-2-thione, 3-(2-mercapto-ethyl)-3H-benzothiazole-2-thione, 3-(2-sulfanylethyl)-1,3-benzothiazole-2-thione
| Molecular Formula | C9H9NS3 |
|---|---|
| Molecular Weight | 226.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.98972 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 30761-18-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)S2)CCS |
| InChIKey | VOLCUAPCOJHQSI-UHFFFAOYSA-N |
Product Overview
3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione (CAS 30761-18-3), with molecular formula C9H9NS3 and molecular weight 226.99 g/mol. IUPAC: 3-(2-sulfanylethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione
Property Insights of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione. Following Lipinski's Rule of Five, 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione has 1 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 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione?
The CAS number of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione is 30761-18-3.
What is the molecular formula of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione?
The molecular formula of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione is C9H9NS3.
What is the molecular weight of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione?
The molecular weight of 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione is 226.99 g/mol.
Where can I buy 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione?
You can request a quote for 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Sulfanylethyl)-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.