Thiocyclam hydrogen oxalate
TL;DR: Thiocyclam hydrogen oxalate (CAS 31895-22-4) is a chemical compound with molecular formula C7H13NO4S3 and molecular weight 271.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyltrithian-5-amine;oxalic acid
Also Known As: Thiocyclam oxalate, Thiocyclam hydrogen oxalate, Evisect, Evisekt, Evisect S
| Molecular Formula | C7H13NO4S3 |
|---|---|
| Molecular Weight | 271.00 g/mol |
| LogP | 1.12 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.00067 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 31895-22-4 |
|---|---|
| SMILES | CN(C)C1CSSSC1.C(=O)(C(=O)O)O |
| InChIKey | ICTQUFQQEYSGGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyclam hydrogen oxalate (CAS 31895-22-4), with molecular formula C7H13NO4S3 and molecular weight 271.00 g/mol. IUPAC: N,N-dimethyltrithian-5-amine;oxalic acid.
Chemical Property Profile of Thiocyclam hydrogen oxalate
Property Insights of Thiocyclam hydrogen oxalate
The XLogP value of 1.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyclam hydrogen oxalate. The TPSA of 154.0 Ų indicates high polarity, suggesting Thiocyclam hydrogen oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocyclam hydrogen oxalate has 2 hydrogen bond donor(s) and 8 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 Thiocyclam hydrogen oxalate?
The CAS number of Thiocyclam hydrogen oxalate is 31895-22-4.
What is the molecular formula of Thiocyclam hydrogen oxalate?
The molecular formula of Thiocyclam hydrogen oxalate is C7H13NO4S3.
What is the molecular weight of Thiocyclam hydrogen oxalate?
The molecular weight of Thiocyclam hydrogen oxalate is 271.00 g/mol.
Where can I buy Thiocyclam hydrogen oxalate?
You can request a quote for Thiocyclam hydrogen oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyclam hydrogen oxalate?
Yes, KEHONG BIO provides custom synthesis services for Thiocyclam hydrogen oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.