二硫代乙酸
TL;DR: 二硫代乙酸 (CAS 594-03-6) is a chemical compound with molecular formula C2H4S2 and molecular weight 91.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硫代乙酸
ethanedithioic acid
Also Known As: Dithioacetic acid, ethanedithioic acid, Ethane(dithioic) acid, Ethane(dithioic)acid, Acetic acid, dithio-
| Molecular Formula | C2H4S2 |
|---|---|
| Molecular Weight | 91.98 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.97544 |
| Heavy Atoms | 4 |
| Complexity | 31.0 |
Chemical Identifiers
| CAS Number | 594-03-6 |
|---|---|
| SMILES | CC(=S)S |
| InChIKey | ZEUUVJSRINKECZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硫代乙酸 (CAS 594-03-6), with molecular formula C2H4S2 and molecular weight 91.98 g/mol. IUPAC: ethanedithioic acid.
Chemical Property Profile of 二硫代乙酸
Property Insights of 二硫代乙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二硫代乙酸. With a topological polar surface area (TPSA) of 33.1 Ų, 二硫代乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二硫代乙酸 has 1 hydrogen bond donor(s) and 2 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 二硫代乙酸?
The CAS number of 二硫代乙酸 is 594-03-6.
What is the molecular formula of 二硫代乙酸?
The molecular formula of 二硫代乙酸 is C2H4S2.
What is the molecular weight of 二硫代乙酸?
The molecular weight of 二硫代乙酸 is 91.98 g/mol.
Where can I buy 二硫代乙酸?
You can request a quote for 二硫代乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硫代乙酸?
Yes, KEHONG BIO provides custom synthesis services for 二硫代乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.