Sulfocarbathione
TL;DR: Sulfocarbathione (CAS 114654-31-8) is a chemical compound with molecular formula C5H9NO2S3 and molecular weight 210.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl)carbamodithioic acid
Also Known As: Sulfocarbathione, Sulfocarbathion, Sulfocarbathion K, starbld0043892, (1,1-dioxothiolan-3-yl)carbamodithioic acid
| Molecular Formula | C5H9NO2S3 |
|---|---|
| Molecular Weight | 210.98 g/mol |
| LogP | -0.0222 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.97954 |
| Heavy Atoms | 11 |
| Complexity | 258.9011 |
Chemical Identifiers
| CAS Number | 114654-31-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)S |
Product Overview
Sulfocarbathione (CAS 114654-31-8), with molecular formula C5H9NO2S3 and molecular weight 210.98 g/mol. IUPAC: (1,1-dioxothiolan-3-yl)carbamodithioic acid.
Chemical Property Profile of Sulfocarbathione
Property Insights of Sulfocarbathione
The XLogP value of -0.0222 indicates that Sulfocarbathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.17 Ų, Sulfocarbathione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfocarbathione has 2 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 Sulfocarbathione?
The CAS number of Sulfocarbathione is 114654-31-8.
What is the molecular formula of Sulfocarbathione?
The molecular formula of Sulfocarbathione is C5H9NO2S3.
What is the molecular weight of Sulfocarbathione?
The molecular weight of Sulfocarbathione is 210.98 g/mol.
Where can I buy Sulfocarbathione?
You can request a quote for Sulfocarbathione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfocarbathione?
Yes, KEHONG BIO provides custom synthesis services for Sulfocarbathione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.