Isobutyl xanthate
TL;DR: Isobutyl xanthate (CAS 6791-12-4) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropoxymethanedithioic acid
Also Known As: Isobutyl xanthate, isobutylxanthate, Isobutoxydithioformic acid, 2-methylpropyl xanthic acid, methanedithioic acid, isobutoxy-
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 6791-12-4 |
|---|---|
| SMILES | CC(C)COC(=S)S |
| InChIKey | KOVPITHBHSZRLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl xanthate (CAS 6791-12-4), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: 2-methylpropoxymethanedithioic acid.
Chemical Property Profile of Isobutyl xanthate
Property Insights of Isobutyl xanthate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl xanthate. With a topological polar surface area (TPSA) of 42.3 Ų, Isobutyl xanthate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl xanthate has 1 hydrogen bond donor(s) and 3 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 Isobutyl xanthate?
The CAS number of Isobutyl xanthate is 6791-12-4.
What is the molecular formula of Isobutyl xanthate?
The molecular formula of Isobutyl xanthate is C5H10OS2.
What is the molecular weight of Isobutyl xanthate?
The molecular weight of Isobutyl xanthate is 150.02 g/mol.
Where can I buy Isobutyl xanthate?
You can request a quote for Isobutyl xanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl xanthate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl xanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.