![6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid structure](/static/products/946/94646-69-2.png)
6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid
TL;DR: 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid (CAS 94646-69-2) is a chemical compound with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylcarbamothioylsulfanyl)hexanoic acid
Also Known As: 6-[(dimethylcarbamothioyl)sulfanyl]hexanoic acid, 6-(dimethylcarbamothioylsulfanyl)hexanoic acid, 6-(Dimethylthiocarbamoylthio)hexanoic acid, 6-(dimethylthiocarbamoylsulfanyl)hexanoic acid, J1.420.676K
| Molecular Formula | C9H17NO2S2 |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.07007 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 94646-69-2 |
|---|---|
| SMILES | CN(C)C(=S)SCCCCCC(=O)O |
| InChIKey | QTIGMNXKDBQQSI-UHFFFAOYSA-N |
Product Overview
6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid (CAS 94646-69-2), with molecular formula C9H17NO2S2 and molecular weight 235.07 g/mol. IUPAC: 6-(dimethylcarbamothioylsulfanyl)hexanoic acid.
Chemical Property Profile of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid
Property Insights of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid. Following Lipinski's Rule of Five, 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic 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 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid?
The CAS number of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid is 94646-69-2.
What is the molecular formula of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid?
The molecular formula of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid is C9H17NO2S2.
What is the molecular weight of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid?
The molecular weight of 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid is 235.07 g/mol.
Where can I buy 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid?
You can request a quote for 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(Dimethylcarbamothioyl)sulfanyl]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.