2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
TL;DR: 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione (CAS 309273-96-9) is a chemical compound with molecular formula C11H12N4S2 and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
Also Known As: TimTec1_004258, 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione, A2081/0087496, 2-(benzo[d]thiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione, 2-(1,3-BENZOTHIAZOL-2-YL)-5,5-DIMETHYL-1,2,4-TRIAZOLANE-3-THIONE
| Molecular Formula | C11H12N4S2 |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.05035 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 309273-96-9 |
|---|---|
| SMILES | CC1(NC(=S)N(N1)C2=NC3=CC=CC=C3S2)C |
| InChIKey | HTYFKETVEYVXEB-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione (CAS 309273-96-9), with molecular formula C11H12N4S2 and molecular weight 264.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
Property Insights of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione has 2 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-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione is 309273-96-9.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione is C11H12N4S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione is 264.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-5,5-dimethyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.