![[(Mesitylcarbothioyl)sulfanyl]acetic acid structure](/static/products/887/887569-91-7.png)
[(Mesitylcarbothioyl)sulfanyl]acetic acid
TL;DR: [(Mesitylcarbothioyl)sulfanyl]acetic acid (CAS 887569-91-7) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trimethylbenzenecarbothioyl)sulfanylacetic acid
Also Known As: [(mesitylcarbothioyl)sulfanyl]acetic acid|AB-131/25126052|2-(2,4,6-trimethylbenzenecarbothioyl)sulfanylacetic acid|2-(2,4,6-trimethylbenzenecarbothioylsulfanyl)acetic acid|2-((2,4,6-Trimethylphenylcarbonothioyl)thio)acetic acid|2-[thioxo(2,4,6-trimethylphenyl)methylthio]acetic acid
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.10516 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 415.64005 |
Chemical Identifiers
| CAS Number | 887569-91-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=S)SCC(=O)O)C |
Product Overview
[(Mesitylcarbothioyl)sulfanyl]acetic acid (CAS 887569-91-7), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: 2-(2,4,6-trimethylbenzenecarbothioyl)sulfanylacetic acid.
Chemical Property Profile of [(Mesitylcarbothioyl)sulfanyl]acetic acid
Property Insights of [(Mesitylcarbothioyl)sulfanyl]acetic acid
The XLogP value of 3.10516 indicates that [(Mesitylcarbothioyl)sulfanyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, [(Mesitylcarbothioyl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Mesitylcarbothioyl)sulfanyl]acetic acid 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 [(Mesitylcarbothioyl)sulfanyl]acetic acid?
The CAS number of [(Mesitylcarbothioyl)sulfanyl]acetic acid is 887569-91-7.
What is the molecular formula of [(Mesitylcarbothioyl)sulfanyl]acetic acid?
The molecular formula of [(Mesitylcarbothioyl)sulfanyl]acetic acid is C12H14O2S2.
What is the molecular weight of [(Mesitylcarbothioyl)sulfanyl]acetic acid?
The molecular weight of [(Mesitylcarbothioyl)sulfanyl]acetic acid is 254.04 g/mol.
Where can I buy [(Mesitylcarbothioyl)sulfanyl]acetic acid?
You can request a quote for [(Mesitylcarbothioyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Mesitylcarbothioyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(Mesitylcarbothioyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.