2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone
TL;DR: 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone (CAS 189064-29-7) is a chemical compound with molecular formula C12H9NOS2 and molecular weight 247.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylphenyl)imino-1-thiophen-2-ylethanone
Also Known As: 2-Thienylglyoxal-2'-aminothiophenol, 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone, 2-(2-sulfanylphenyl)imino-1-thiophen-2-ylethanone, (2E)-2-(2-sulfanylphenyl)imino-1-(2-thienyl)ethanone, Ethanone, 2-[(2-mercaptophenyl)imino]-1-(2-thienyl)-
| Molecular Formula | C12H9NOS2 |
|---|---|
| Molecular Weight | 247.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.01256 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 189064-29-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=CC(=O)C2=CC=CS2)S |
| InChIKey | XVNLYIOBNXOACQ-UHFFFAOYSA-N |
Product Overview
2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone (CAS 189064-29-7), with molecular formula C12H9NOS2 and molecular weight 247.01 g/mol. IUPAC: 2-(2-sulfanylphenyl)imino-1-thiophen-2-ylethanone.
Chemical Property Profile of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone
Property Insights of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone
The XLogP value of 3.3 indicates that 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone 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-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone?
The CAS number of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone is 189064-29-7.
What is the molecular formula of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone?
The molecular formula of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone is C12H9NOS2.
What is the molecular weight of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone?
The molecular weight of 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone is 247.01 g/mol.
Where can I buy 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone?
You can request a quote for 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Mercaptophenyl)imino)-1-(2-thienyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.