2-Benzothiazolesulfenanilide
TL;DR: 2-Benzothiazolesulfenanilide (CAS 34844-45-6) is a chemical compound with molecular formula C13H10N2S2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylsulfanyl)aniline
Also Known As: 2-Benzothiazolesulfenanilide, N-phenylbenzothiazole-2-sulfenamide, Benzenamine,n-(2-benzothiazolylthio)-, N-(1,3-benzothiazol-2-ylsulfanyl)aniline, N-[(1,3-Benzothiazol-2-yl)sulfanyl]aniline
| Molecular Formula | C13H10N2S2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.02853 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 34844-45-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NSC2=NC3=CC=CC=C3S2 |
| InChIKey | UQZVTALCNXYOKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolesulfenanilide (CAS 34844-45-6), with molecular formula C13H10N2S2 and molecular weight 258.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylsulfanyl)aniline.
Chemical Property Profile of 2-Benzothiazolesulfenanilide
Property Insights of 2-Benzothiazolesulfenanilide
The XLogP value of 4.7 indicates that 2-Benzothiazolesulfenanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolesulfenanilide. Following Lipinski's Rule of Five, 2-Benzothiazolesulfenanilide 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-Benzothiazolesulfenanilide?
The CAS number of 2-Benzothiazolesulfenanilide is 34844-45-6.
What is the molecular formula of 2-Benzothiazolesulfenanilide?
The molecular formula of 2-Benzothiazolesulfenanilide is C13H10N2S2.
What is the molecular weight of 2-Benzothiazolesulfenanilide?
The molecular weight of 2-Benzothiazolesulfenanilide is 258.03 g/mol.
Where can I buy 2-Benzothiazolesulfenanilide?
You can request a quote for 2-Benzothiazolesulfenanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolesulfenanilide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolesulfenanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.