3-甲基丁氧基二硫代甲酸
TL;DR: 3-甲基丁氧基二硫代甲酸 (CAS 2540-36-5) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基丁氧基二硫代甲酸
3-methylbutoxymethanedithioic acid
Also Known As: Isoamyl xanthate, Isopentyl xanthate, Isopentyl dithiocarbonate, Isopentylxanthic acid, o-isopentyl dithiocarbonate
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2540-36-5 |
|---|---|
| SMILES | CC(C)CCOC(=S)S |
| InChIKey | CONMNFZLRNYHIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基丁氧基二硫代甲酸 (CAS 2540-36-5), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: 3-methylbutoxymethanedithioic acid.
Chemical Property Profile of 3-甲基丁氧基二硫代甲酸
Property Insights of 3-甲基丁氧基二硫代甲酸
The XLogP value of 3.0 indicates that 3-甲基丁氧基二硫代甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 3-甲基丁氧基二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁氧基二硫代甲酸 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 3-甲基丁氧基二硫代甲酸?
The CAS number of 3-甲基丁氧基二硫代甲酸 is 2540-36-5.
What is the molecular formula of 3-甲基丁氧基二硫代甲酸?
The molecular formula of 3-甲基丁氧基二硫代甲酸 is C6H12OS2.
What is the molecular weight of 3-甲基丁氧基二硫代甲酸?
The molecular weight of 3-甲基丁氧基二硫代甲酸 is 164.03 g/mol.
Where can I buy 3-甲基丁氧基二硫代甲酸?
You can request a quote for 3-甲基丁氧基二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁氧基二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁氧基二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.