(pentamethylenedithio)diacetic acid
TL;DR: (pentamethylenedithio)diacetic acid (CAS 32386-31-5) is a chemical compound with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid
Also Known As: (pentamethylenedithio)diacetic acid, 2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid, 2-[5-(carboxymethylthio)pentylthio]acetic acid, 2,2'-[Pentane-1,5-diylbis(sulfanediyl)]diacetic acid, 2-({5-[(carboxymethyl)sulfanyl]pentyl}sulfanyl)acetic acid
| Molecular Formula | C9H16O4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.049 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 32386-31-5 |
|---|---|
| SMILES | C(CCSCC(=O)O)CCSCC(=O)O |
| InChIKey | CYHDWXPTWDSXTP-UHFFFAOYSA-N |
Product Overview
(pentamethylenedithio)diacetic acid (CAS 32386-31-5), with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol. IUPAC: 2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid.
Chemical Property Profile of (pentamethylenedithio)diacetic acid
Property Insights of (pentamethylenedithio)diacetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (pentamethylenedithio)diacetic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (pentamethylenedithio)diacetic acid. Following Lipinski's Rule of Five, (pentamethylenedithio)diacetic acid has 2 hydrogen bond donor(s) and 6 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 (pentamethylenedithio)diacetic acid?
The CAS number of (pentamethylenedithio)diacetic acid is 32386-31-5.
What is the molecular formula of (pentamethylenedithio)diacetic acid?
The molecular formula of (pentamethylenedithio)diacetic acid is C9H16O4S2.
What is the molecular weight of (pentamethylenedithio)diacetic acid?
The molecular weight of (pentamethylenedithio)diacetic acid is 252.05 g/mol.
Where can I buy (pentamethylenedithio)diacetic acid?
You can request a quote for (pentamethylenedithio)diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (pentamethylenedithio)diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (pentamethylenedithio)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.