Thiocarbarsone
TL;DR: Thiocarbarsone (CAS 120-02-5) is a chemical compound with molecular formula C11H13AsN2O5S2 and molecular weight 391.94818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Also Known As: Thiocarbarsone, Chemotherapy Center No. 914, THIOCARBARSONE [MI], C.C. No. 914, CC 914
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13AsN2O5S2 |
| Molecular Weight | 391.94818 g/mol |
| XLogP | 0.51 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.94818 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | C1=CC(=CC=C1NC(=O)N)[As](SCC(=O)O)SCC(=O)O |
| InChIKey | VULRLPILKVVAQO-UHFFFAOYSA-N |
Chemical Property Profile of Thiocarbarsone
Property Insights of Thiocarbarsone
The XLogP value of 0.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocarbarsone. The TPSA of 180.0 Ų indicates high polarity, suggesting Thiocarbarsone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocarbarsone has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thiocarbarsone?
The CAS number of Thiocarbarsone is 120-02-5.
What is the molecular formula of Thiocarbarsone?
The molecular formula of Thiocarbarsone is C11H13AsN2O5S2.
What is the molecular weight of Thiocarbarsone?
The molecular weight of Thiocarbarsone is 391.94818 g/mol.
Where can I buy Thiocarbarsone?
You can request a quote for Thiocarbarsone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiocarbarsone?
Yes, CoreyChem provides custom synthesis services for Thiocarbarsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.