2-((2-Thienylmethylene)amino)benzenethiol
TL;DR: 2-((2-Thienylmethylene)amino)benzenethiol (CAS 58567-93-4) is a chemical compound with molecular formula C11H9NS2 and molecular weight 219.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-2-ylmethylideneamino)benzenethiol
Also Known As: 2-((2-Thienylmethylene)amino)benzenethiol, 2-Thenylidene-2-aminothiophenol, 2-(thiophen-2-ylmethylideneamino)benzenethiol, 2-[(2-Thienylmethylene)amino]benzenethiol, Benzenethiol, o-(2-thenylideneamino)-
| Molecular Formula | C11H9NS2 |
|---|---|
| Molecular Weight | 219.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.01764 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 58567-93-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=CC2=CC=CS2)S |
| InChIKey | JPQPPZDBOLIINU-UHFFFAOYSA-N |
Product Overview
2-((2-Thienylmethylene)amino)benzenethiol (CAS 58567-93-4), with molecular formula C11H9NS2 and molecular weight 219.02 g/mol. IUPAC: 2-(thiophen-2-ylmethylideneamino)benzenethiol.
Chemical Property Profile of 2-((2-Thienylmethylene)amino)benzenethiol
Property Insights of 2-((2-Thienylmethylene)amino)benzenethiol
The XLogP value of 3.4 indicates that 2-((2-Thienylmethylene)amino)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 2-((2-Thienylmethylene)amino)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Thienylmethylene)amino)benzenethiol 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 2-((2-Thienylmethylene)amino)benzenethiol?
The CAS number of 2-((2-Thienylmethylene)amino)benzenethiol is 58567-93-4.
What is the molecular formula of 2-((2-Thienylmethylene)amino)benzenethiol?
The molecular formula of 2-((2-Thienylmethylene)amino)benzenethiol is C11H9NS2.
What is the molecular weight of 2-((2-Thienylmethylene)amino)benzenethiol?
The molecular weight of 2-((2-Thienylmethylene)amino)benzenethiol is 219.02 g/mol.
Where can I buy 2-((2-Thienylmethylene)amino)benzenethiol?
You can request a quote for 2-((2-Thienylmethylene)amino)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Thienylmethylene)amino)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Thienylmethylene)amino)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.