![[[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid structure](/static/products/721/72115-96-9.png)
[[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid
TL;DR: [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid (CAS 72115-96-9) is a chemical compound with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylamino)benzenecarbothioyl]sulfanylacetic acid
Also Known As: ([4-(Dimethylamino)benzothioyl]sulfanyl)acetic acid, ([4-(Dimethylamino)benzothioyl]sulfanyl)acetic acid #, [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid, Acetic acid, 2-[[[4-(dimethylamino)phenyl]thioxomethyl]thio]-, 2-[4-(dimethylamino)benzenecarbothioyl]sulfanylacetic acid
| Molecular Formula | C11H13NO2S2 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.03877 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 72115-96-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=S)SCC(=O)O |
| InChIKey | HNWQBAZECYYUMP-UHFFFAOYSA-N |
Product Overview
[[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid (CAS 72115-96-9), with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol. IUPAC: 2-[4-(dimethylamino)benzenecarbothioyl]sulfanylacetic acid.
Chemical Property Profile of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid
Property Insights of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid. Following Lipinski's Rule of Five, [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid has 1 hydrogen bond donor(s) and 5 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-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid?
The CAS number of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid is 72115-96-9.
What is the molecular formula of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid?
The molecular formula of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid is C11H13NO2S2.
What is the molecular weight of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid?
The molecular weight of [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid is 255.04 g/mol.
Where can I buy [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid?
You can request a quote for [[[4-[Dimethylamino]phenyl]thioxomethyl]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 [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [[[4-[Dimethylamino]phenyl]thioxomethyl]thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.