Isobutyl propyl sulfide
TL;DR: Isobutyl propyl sulfide (CAS 1741-84-0) is a chemical compound with molecular formula CCCSCC(C)C and molecular weight 132.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-propylsulfanylpropane
Also Known As: Isobutyl propyl sulfide, Sulfide, isobutyl propyl, 2-methyl-1-propylsulfanylpropane, Clobetasolpropionate, 2-methyl-4-thiaheptane
| Molecular Formula | CCCSCC(C)C |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 1741-84-0 |
|---|---|
| SMILES | CCCSCC(C)C |
| InChIKey | YZCUJPLKGSDCFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl propyl sulfide (CAS 1741-84-0), with molecular formula CCCSCC(C)C and molecular weight 132.10 g/mol. IUPAC: 2-methyl-1-propylsulfanylpropane.
Chemical Property Profile of Isobutyl propyl sulfide
Property Insights of Isobutyl propyl sulfide
The XLogP value of 3.1 indicates that Isobutyl propyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Isobutyl propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl propyl sulfide 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 Isobutyl propyl sulfide?
The CAS number of Isobutyl propyl sulfide is 1741-84-0.
What is the molecular formula of Isobutyl propyl sulfide?
The molecular formula of Isobutyl propyl sulfide is CCCSCC(C)C.
What is the molecular weight of Isobutyl propyl sulfide?
The molecular weight of Isobutyl propyl sulfide is 132.10 g/mol.
Where can I buy Isobutyl propyl sulfide?
You can request a quote for Isobutyl propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.