S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid
TL;DR: S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid (CAS 4007-01-6) is a chemical compound with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylcarbamothioylsulfanyl)acetic acid
Also Known As: S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid, 2-((dimethylcarbamothioyl)thio)acetic acid, S- THIOGLYCOLICACID, 2-(dimethylcarbamothioylsulfanyl)acetic acid, [(dimethylcarbamothioyl)sulfanyl]acetic acid
| Molecular Formula | C5H9NO2S2 |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.00748 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4007-01-6 |
|---|---|
| SMILES | CN(C)C(=S)SCC(=O)O |
| InChIKey | FYGUGMCPHDSCLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid (CAS 4007-01-6), with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol. IUPAC: 2-(dimethylcarbamothioylsulfanyl)acetic acid.
Chemical Property Profile of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid
Property Insights of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid. Following Lipinski's Rule of Five, S-(N,N-Dimethylthiocarbamoyl)thioglycolic 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 S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid?
The CAS number of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid is 4007-01-6.
What is the molecular formula of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid?
The molecular formula of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid is C5H9NO2S2.
What is the molecular weight of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid?
The molecular weight of S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid is 179.01 g/mol.
Where can I buy S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid?
You can request a quote for S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid?
Yes, KEHONG BIO provides custom synthesis services for S-(N,N-Dimethylthiocarbamoyl)thioglycolic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.