Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester
TL;DR: Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester (CAS 99848-16-5) is a chemical compound with molecular formula C7H14O2S3 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(sulfanyl)propyl 2-ethylsulfanylacetate
Also Known As: Disulfanyl deriv., (Ethylthio)acetic acid 2,3-dimercaptopropyl ester, 2,3-Disulfanylpropyl 2-ethylthioacetate, 2,3-bis(sulfanyl)propyl 2-ethylsulfanylacetate, ACETIC ACID, (ETHYLTHIO)-, 2,3-DIMERCAPTOPROPYL ESTER
| Molecular Formula | C7H14O2S3 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.0156 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 99848-16-5 |
|---|---|
| SMILES | CCSCC(=O)OCC(CS)S |
| InChIKey | PCSNXNVCVBEZMR-UHFFFAOYSA-N |
Product Overview
Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester (CAS 99848-16-5), with molecular formula C7H14O2S3 and molecular weight 226.02 g/mol. IUPAC: 2,3-bis(sulfanyl)propyl 2-ethylsulfanylacetate.
Chemical Property Profile of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester
Property Insights of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester. With a topological polar surface area (TPSA) of 53.6 Ų, Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester has 2 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 Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester?
The CAS number of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester is 99848-16-5.
What is the molecular formula of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester?
The molecular formula of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester is C7H14O2S3.
What is the molecular weight of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester?
The molecular weight of Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester is 226.02 g/mol.
Where can I buy Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester?
You can request a quote for Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (ethylthio)-, 2,3-dimercaptopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.