Isopropyl benzyl sulfide
TL;DR: Isopropyl benzyl sulfide (CAS 770-34-3) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylsulfanylmethylbenzene
Also Known As: Benzyl isopropyl sulfide, isopropyl benzyl sulfide, Benzylisopropyl sulfide, Isopropylbenzyl sulfide, propan-2-ylsulfanylmethylbenzene
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 770-34-3 |
|---|---|
| SMILES | CC(C)SCC1=CC=CC=C1 |
| InChIKey | GGIZKZIRURGXOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl benzyl sulfide (CAS 770-34-3), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: propan-2-ylsulfanylmethylbenzene.
Chemical Property Profile of Isopropyl benzyl sulfide
Property Insights of Isopropyl benzyl sulfide
The XLogP value of 3.2 indicates that Isopropyl benzyl 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, Isopropyl benzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl benzyl 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 Isopropyl benzyl sulfide?
The CAS number of Isopropyl benzyl sulfide is 770-34-3.
What is the molecular formula of Isopropyl benzyl sulfide?
The molecular formula of Isopropyl benzyl sulfide is C10H14S.
What is the molecular weight of Isopropyl benzyl sulfide?
The molecular weight of Isopropyl benzyl sulfide is 166.08 g/mol.
Where can I buy Isopropyl benzyl sulfide?
You can request a quote for Isopropyl benzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl benzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl benzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.