硫代苹果酸
TL;DR: 硫代苹果酸 (CAS 70-49-5) is a chemical compound with molecular formula C4H6O4S and molecular weight 150.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代苹果酸
2-sulfanylbutanedioic acid
Also Known As: Mercaptosuccinic acid, Thiomalic acid, 2-sulfanylbutanedioic acid, 2-Mercaptosuccinic acid, 2-Thiomalic acid
| Molecular Formula | C4H6O4S |
|---|---|
| Molecular Weight | 150.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.99867 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 70-49-5 |
|---|---|
| SMILES | C(C(C(=O)O)S)C(=O)O |
| InChIKey | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代苹果酸 (CAS 70-49-5), with molecular formula C4H6O4S and molecular weight 150.00 g/mol. IUPAC: 2-sulfanylbutanedioic acid.
Chemical Property Profile of 硫代苹果酸
Property Insights of 硫代苹果酸
The XLogP value of -0.4 indicates that 硫代苹果酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫代苹果酸. Following Lipinski's Rule of Five, 硫代苹果酸 has 3 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 硫代苹果酸?
The CAS number of 硫代苹果酸 is 70-49-5.
What is the molecular formula of 硫代苹果酸?
The molecular formula of 硫代苹果酸 is C4H6O4S.
What is the molecular weight of 硫代苹果酸?
The molecular weight of 硫代苹果酸 is 150.00 g/mol.
Where can I buy 硫代苹果酸?
You can request a quote for 硫代苹果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代苹果酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代苹果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.