硫代二丙酸
TL;DR: 硫代二丙酸 (CAS 111-17-1) is a chemical compound with molecular formula C6H10O4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代二丙酸
3-(2-carboxyethylsulfanyl)propanoic acid
Also Known As: 3,3'-Thiodipropionic acid, THIODIPROPIONIC ACID, Tyox A, TDPA, Thiodihydracrylic acid
| Molecular Formula | C6H10O4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.02998 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| Melting Point | 134 °C |
| Solubility | FREELY SOL IN HOT WATER, ALC, ACETONE; 1 G DISSOLVES IN 26.9 ML WATER @ 26 °C |
| Vapor Pressure | 0.0000143 [mmHg] |
Chemical Identifiers
| CAS Number | 111-17-1 |
|---|---|
| SMILES | C(CSCCC(=O)O)C(=O)O |
| InChIKey | ODJQKYXPKWQWNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代二丙酸 (CAS 111-17-1), with molecular formula C6H10O4S and molecular weight 178.03 g/mol. IUPAC: 3-(2-carboxyethylsulfanyl)propanoic acid.
Chemical Property Profile of 硫代二丙酸
Property Insights of 硫代二丙酸
The XLogP value of -0.1 indicates that 硫代二丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫代二丙酸. Following Lipinski's Rule of Five, 硫代二丙酸 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 硫代二丙酸?
The CAS number of 硫代二丙酸 is 111-17-1.
What is the molecular formula of 硫代二丙酸?
The molecular formula of 硫代二丙酸 is C6H10O4S.
What is the molecular weight of 硫代二丙酸?
The molecular weight of 硫代二丙酸 is 178.03 g/mol.
Where can I buy 硫代二丙酸?
You can request a quote for 硫代二丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代二丙酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代二丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.