乙基黄原酸
TL;DR: 乙基黄原酸 (CAS 105-47-5) 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.
乙基黄原酸
butan-2-yloxymethanedithioic acid
Also Known As: ethyl xanthogenic acid, Potassium sec-butyl xanthate, butan-2-yloxymethanedithioic acid, methanedithioic acid, sec-butoxy-, o-butan-2-yl hydrogen carbonodithioate
| 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 | 82.0 |
Chemical Identifiers
| CAS Number | 105-47-5 |
|---|---|
| SMILES | CCC(C)OC(=S)S |
| InChIKey | WQIPONAWDJJUPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基黄原酸 (CAS 105-47-5), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: butan-2-yloxymethanedithioic acid.
Chemical Property Profile of 乙基黄原酸
Property Insights of 乙基黄原酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基黄原酸. With a topological polar surface area (TPSA) of 42.3 Ų, 乙基黄原酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基黄原酸 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 乙基黄原酸?
The CAS number of 乙基黄原酸 is 105-47-5.
What is the molecular formula of 乙基黄原酸?
The molecular formula of 乙基黄原酸 is C5H10OS2.
What is the molecular weight of 乙基黄原酸?
The molecular weight of 乙基黄原酸 is 150.02 g/mol.
Where can I buy 乙基黄原酸?
You can request a quote for 乙基黄原酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基黄原酸?
Yes, KEHONG BIO provides custom synthesis services for 乙基黄原酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.