2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-
TL;DR: 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- (CAS 52561-03-2) is a chemical compound with molecular formula C10H6N2S3 and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-3H-1,3-thiazole-2-thione
Also Known As: 2-(2'-Mercapto-4'-thiazolyl)benzothiazole, 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-, 4-(2-Benzothiazolyl)-2(3H)-thiazolethione, 2-mercapto-4-(2-benzothiazolyl)thiazole, 4-(1,3-benzothiazol-2-yl)-3H-1,3-thiazole-2-thione
| Molecular Formula | C10H6N2S3 |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 4.08239 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.96931 |
| Heavy Atoms | 15 |
| Complexity | 629.17084 |
Chemical Identifiers
| CAS Number | 52561-03-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CSC(=S)N3 |
Product Overview
2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- (CAS 52561-03-2), with molecular formula C10H6N2S3 and molecular weight 249.97 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-3H-1,3-thiazole-2-thione.
Chemical Property Profile of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-
Property Insights of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-
The XLogP value of 4.08239 indicates that 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- has 1 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 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-?
The CAS number of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- is 52561-03-2.
What is the molecular formula of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-?
The molecular formula of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- is C10H6N2S3.
What is the molecular weight of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-?
The molecular weight of 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- is 249.97 g/mol.
Where can I buy 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-?
You can request a quote for 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Thiazolethione, 4-(2-benzothiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.