4-(4-Acetamidophenyl)-1,3-dithiole-2-thione
TL;DR: 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione (CAS 13575-06-9) is a chemical compound with molecular formula C11H9NOS3 and molecular weight 266.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(2-sulfanylidene-1,3-dithiol-4-yl)phenyl]acetamide
Also Known As: 4-(4-ACETAMIDOPHENYL)-1,3-DITHIOLE-2-THIONE, N-[4-(2-sulfanylidene-1,3-dithiol-4-yl)phenyl]acetamide, 634-388-3, RefChem:513808
| Molecular Formula | C11H9NOS3 |
|---|---|
| Molecular Weight | 266.98 g/mol |
| LogP | 4.16449 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.98462 |
| Heavy Atoms | 16 |
| Complexity | 553.1087 |
Chemical Identifiers
| CAS Number | 13575-06-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=CSC(=S)S2 |
Product Overview
4-(4-Acetamidophenyl)-1,3-dithiole-2-thione (CAS 13575-06-9), with molecular formula C11H9NOS3 and molecular weight 266.98 g/mol. IUPAC: N-[4-(2-sulfanylidene-1,3-dithiol-4-yl)phenyl]acetamide.
Chemical Property Profile of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione
Property Insights of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione
The XLogP value of 4.16449 indicates that 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione 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 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione?
The CAS number of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione is 13575-06-9.
What is the molecular formula of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione?
The molecular formula of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione is C11H9NOS3.
What is the molecular weight of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione?
The molecular weight of 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione is 266.98 g/mol.
Where can I buy 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione?
You can request a quote for 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetamidophenyl)-1,3-dithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.