2-Benzothiazolesulfenamide
TL;DR: 2-Benzothiazolesulfenamide (CAS 2801-21-0) is a chemical compound with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzothiazol-2-yl)thiohydroxylamine
Also Known As: 2-Benzothiazolesulfenamide, 2-Benzothiazylsulfenamide, 2-Sulfenamidobenzothiazole, 2-Benzothiazolylsulfenamide, benzothiazole sulphenamide
| Molecular Formula | C7H6N2S2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.99724 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2801-21-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SN |
| InChIKey | GPNLWUFFWOYKLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolesulfenamide (CAS 2801-21-0), with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl)thiohydroxylamine.
Chemical Property Profile of 2-Benzothiazolesulfenamide
Property Insights of 2-Benzothiazolesulfenamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolesulfenamide. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolesulfenamide. Following Lipinski's Rule of Five, 2-Benzothiazolesulfenamide 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-Benzothiazolesulfenamide?
The CAS number of 2-Benzothiazolesulfenamide is 2801-21-0.
What is the molecular formula of 2-Benzothiazolesulfenamide?
The molecular formula of 2-Benzothiazolesulfenamide is C7H6N2S2.
What is the molecular weight of 2-Benzothiazolesulfenamide?
The molecular weight of 2-Benzothiazolesulfenamide is 182.00 g/mol.
Where can I buy 2-Benzothiazolesulfenamide?
You can request a quote for 2-Benzothiazolesulfenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolesulfenamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolesulfenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.