(((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid
TL;DR: (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid (CAS 84434-06-0) is a chemical compound with molecular formula C16H12O3S2 and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid
Also Known As: EINECS 282-804-3, (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid, [[(9-Oxo-9H-thioxanthen-2-yl)methyl]thio]acetic acid, 2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid, 2-(((9-OXO-9H-THIOXANTHEN-2-YL)METHYL)THIO)ACETIC ACID
| Molecular Formula | C16H12O3S2 |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 3.7325 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0228 |
| Heavy Atoms | 21 |
| Complexity | 883.45416 |
Chemical Identifiers
| CAS Number | 84434-06-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CSCC(=O)O |
Product Overview
(((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid (CAS 84434-06-0), with molecular formula C16H12O3S2 and molecular weight 316.02 g/mol. IUPAC: 2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid
Property Insights of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid
The XLogP value of 3.7325 indicates that (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid 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 (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid?
The CAS number of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid is 84434-06-0.
What is the molecular formula of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid?
The molecular formula of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid is C16H12O3S2.
What is the molecular weight of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid?
The molecular weight of (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid is 316.02 g/mol.
Where can I buy (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid?
You can request a quote for (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.