O-Butyl hydrogen carbonodithioate
TL;DR: O-Butyl hydrogen carbonodithioate (CAS 110-50-9) 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.
butoxymethanedithioic acid
Also Known As: Butylxanthate, Butyl xanthogenate, BUTYL XANTHATE, butoxymethanedithioic acid, butylxanthic acid
| 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 | 4 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 110-50-9 |
|---|---|
| SMILES | CCCCOC(=S)S |
| InChIKey | TUZCOAQWCRRVIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Butyl hydrogen carbonodithioate (CAS 110-50-9), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: butoxymethanedithioic acid.
Chemical Property Profile of O-Butyl hydrogen carbonodithioate
Property Insights of O-Butyl hydrogen carbonodithioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butyl hydrogen carbonodithioate. With a topological polar surface area (TPSA) of 42.3 Ų, O-Butyl hydrogen carbonodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butyl hydrogen carbonodithioate 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 O-Butyl hydrogen carbonodithioate?
The CAS number of O-Butyl hydrogen carbonodithioate is 110-50-9.
What is the molecular formula of O-Butyl hydrogen carbonodithioate?
The molecular formula of O-Butyl hydrogen carbonodithioate is C5H10OS2.
What is the molecular weight of O-Butyl hydrogen carbonodithioate?
The molecular weight of O-Butyl hydrogen carbonodithioate is 150.02 g/mol.
Where can I buy O-Butyl hydrogen carbonodithioate?
You can request a quote for O-Butyl hydrogen carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl hydrogen carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl hydrogen carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.