二硫代甲酸
TL;DR: 二硫代甲酸 (CAS 4472-10-0) is a chemical compound with molecular formula CH2S2 and molecular weight 77.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硫代甲酸
methanedithioic acid
Also Known As: dithioformic acid, Formic acid, dithio-, Methane(dithioic) acid, methanedithioic acid, Methanethionothiolic acid
| Molecular Formula | CH2S2 |
|---|---|
| Molecular Weight | 77.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 77.95979 |
| Heavy Atoms | 3 |
| Complexity | 10.0 |
Chemical Identifiers
| CAS Number | 4472-10-0 |
|---|---|
| SMILES | C(=S)S |
| InChIKey | WREDNSAXDZCLCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硫代甲酸 (CAS 4472-10-0), with molecular formula CH2S2 and molecular weight 77.96 g/mol. IUPAC: methanedithioic acid.
Chemical Property Profile of 二硫代甲酸
Property Insights of 二硫代甲酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二硫代甲酸. With a topological polar surface area (TPSA) of 33.1 Ų, 二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二硫代甲酸 has 1 hydrogen bond donor(s) and 2 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 二硫代甲酸?
The CAS number of 二硫代甲酸 is 4472-10-0.
What is the molecular formula of 二硫代甲酸?
The molecular formula of 二硫代甲酸 is CH2S2.
What is the molecular weight of 二硫代甲酸?
The molecular weight of 二硫代甲酸 is 77.96 g/mol.
Where can I buy 二硫代甲酸?
You can request a quote for 二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.