二硫代碳酸
TL;DR: 二硫代碳酸 (CAS 4741-30-4) is a chemical compound with molecular formula CH2OS2 and molecular weight 93.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硫代碳酸
carbonodithioic S,S-acid
Also Known As: thioketone, carbonodithioic acid, thioketones, thione, Thiones
| Molecular Formula | CH2OS2 |
|---|---|
| Molecular Weight | 93.95 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 19.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.954704 |
| Heavy Atoms | 4 |
| Complexity | 29.0 |
Chemical Identifiers
| CAS Number | 4741-30-4 |
|---|---|
| SMILES | C(=O)(S)S |
| InChIKey | SKOLWUPSYHWYAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硫代碳酸 (CAS 4741-30-4), with molecular formula CH2OS2 and molecular weight 93.95 g/mol. IUPAC: carbonodithioic S,S-acid.
Chemical Property Profile of 二硫代碳酸
Property Insights of 二硫代碳酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二硫代碳酸. With a topological polar surface area (TPSA) of 19.1 Ų, 二硫代碳酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二硫代碳酸 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 二硫代碳酸?
The CAS number of 二硫代碳酸 is 4741-30-4.
What is the molecular formula of 二硫代碳酸?
The molecular formula of 二硫代碳酸 is CH2OS2.
What is the molecular weight of 二硫代碳酸?
The molecular weight of 二硫代碳酸 is 93.95 g/mol.
Where can I buy 二硫代碳酸?
You can request a quote for 二硫代碳酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硫代碳酸?
Yes, KEHONG BIO provides custom synthesis services for 二硫代碳酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.