![Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- structure](/static/products/5714/57149-19-6.webp)
Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-
TL;DR: Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- (CAS 57149-19-6) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylbenzenecarbothioyl)sulfanylacetic acid
Also Known As: Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-, (4-methyl-thiobenzoylsulfanyl)-acetic acid, 2-(4-methylbenzenecarbothioyl)sulfanylacetic acid, 2-(4-methylbenzenecarbothioylsulfanyl)acetic acid, [(4-Methylbenzothioyl)sulfanyl]acetic acid
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 57149-19-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)SCC(=O)O |
| InChIKey | PXOOGAWEPXWIRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- (CAS 57149-19-6), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 2-(4-methylbenzenecarbothioyl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-
Property Insights of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-. Following Lipinski's Rule of Five, Acetic acid, [[(4-methylphenyl)thioxomethyl]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, [[(4-methylphenyl)thioxomethyl]thio]-?
The CAS number of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- is 57149-19-6.
What is the molecular formula of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-?
The molecular formula of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- is C10H10O2S2.
What is the molecular weight of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-?
The molecular weight of Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- is 226.01 g/mol.
Where can I buy Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-?
You can request a quote for Acetic acid, [[(4-methylphenyl)thioxomethyl]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, [[(4-methylphenyl)thioxomethyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.