![Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- structure](/static/products/5741/57414-03-6.webp)
Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
TL;DR: Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- (CAS 57414-03-6) is a chemical compound with molecular formula C12H8O4S and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
Also Known As: m-Methyl-p-Cyanodemethylanilin, 2-(1,4-dioxonaphthalen-2-yl)sulfanylacetic acid, S-(1,4-naphthoquinon-2-yl)mercaptoacetic acid, 2-[(1,4-dioxo-2-naphthyl)sulfanyl]acetic acid, Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
| Molecular Formula | C12H8O4S |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 1.7673 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.01433 |
| Heavy Atoms | 17 |
| Complexity | 545.1915 |
Chemical Identifiers
| CAS Number | 57414-03-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCC(=O)O |
Product Overview
Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- (CAS 57414-03-6), with molecular formula C12H8O4S and molecular weight 248.01 g/mol. IUPAC: 2-(1,4-dioxonaphthalen-2-yl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
Property Insights of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
The XLogP value of 1.7673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-. Following Lipinski's Rule of Five, Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- 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 Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The CAS number of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is 57414-03-6.
What is the molecular formula of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The molecular formula of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is C12H8O4S.
What is the molecular weight of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The molecular weight of Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is 248.01 g/mol.
Where can I buy Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
You can request a quote for Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.