Butane, 1,1'-thiobis[3-methyl-
TL;DR: Butane, 1,1'-thiobis[3-methyl- (CAS 544-02-5) is a chemical compound with molecular formula C10H22S and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(3-methylbutylsulfanyl)butane
Also Known As: Diisopentyl sulfide, Isoamyl sulfide, DIISOAMYL SULFIDE, Isopentyl sulfide, Diisoamylsulfid
| Molecular Formula | C10H22S |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.14423 |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 544-02-5 |
|---|---|
| SMILES | CC(C)CCSCCC(C)C |
| InChIKey | JWEWNTJADCWFRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1,1'-thiobis[3-methyl- (CAS 544-02-5), with molecular formula C10H22S and molecular weight 174.14 g/mol. IUPAC: 3-methyl-1-(3-methylbutylsulfanyl)butane.
Chemical Property Profile of Butane, 1,1'-thiobis[3-methyl-
Property Insights of Butane, 1,1'-thiobis[3-methyl-
The XLogP value of 4.3 indicates that Butane, 1,1'-thiobis[3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Butane, 1,1'-thiobis[3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1,1'-thiobis[3-methyl- has 0 hydrogen bond donor(s) and 1 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 Butane, 1,1'-thiobis[3-methyl-?
The CAS number of Butane, 1,1'-thiobis[3-methyl- is 544-02-5.
What is the molecular formula of Butane, 1,1'-thiobis[3-methyl-?
The molecular formula of Butane, 1,1'-thiobis[3-methyl- is C10H22S.
What is the molecular weight of Butane, 1,1'-thiobis[3-methyl-?
The molecular weight of Butane, 1,1'-thiobis[3-methyl- is 174.14 g/mol.
Where can I buy Butane, 1,1'-thiobis[3-methyl-?
You can request a quote for Butane, 1,1'-thiobis[3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1,1'-thiobis[3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1,1'-thiobis[3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.