2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid
TL;DR: 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid (CAS 201594-23-2) is a chemical compound with molecular formula C7H11NO2S2 and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid
Also Known As: 2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid, THIO]ACETICACID, [(pyrrolidin-1-ylcarbonothioyl)thio]acetic acid, 2-((Pyrrolidine-1-carbonothioyl)thio)acetic acid, pyrrolinyldithiocarbamylacetic acid
| Molecular Formula | C7H11NO2S2 |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.02312 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 201594-23-2 |
|---|---|
| SMILES | C1CCN(C1)C(=S)SCC(=O)O |
| InChIKey | IHGSPAKPEOTIGY-UHFFFAOYSA-N |
Product Overview
2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid (CAS 201594-23-2), with molecular formula C7H11NO2S2 and molecular weight 205.02 g/mol. IUPAC: 2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid.
Chemical Property Profile of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid
Property Insights of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic 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 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid?
The CAS number of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid is 201594-23-2.
What is the molecular formula of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid?
The molecular formula of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid is C7H11NO2S2.
What is the molecular weight of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid?
The molecular weight of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid is 205.02 g/mol.
Where can I buy 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid?
You can request a quote for 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.