tert-Butyl Isopropyl sulfide
TL;DR: tert-Butyl Isopropyl sulfide (CAS 44657-76-3) is a chemical compound with molecular formula C7H16S 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-2-propan-2-ylsulfanylpropane
Also Known As: tert-Butyl Isopropyl sulfide, Sulfide, tert-butyl isopropyl, tert-Butylisopropyl sulfide, tert-Butyl-isopropyl-sulfid, 2,4,4-trimethyl-3-thiapentane
| Molecular Formula | C7H16S |
|---|---|
| Molecular Weight | 132.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.09727 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 44657-76-3 |
|---|---|
| SMILES | CC(C)SC(C)(C)C |
| InChIKey | OBGJHUWOEJFPJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl Isopropyl sulfide (CAS 44657-76-3), with molecular formula C7H16S and molecular weight 132.10 g/mol. IUPAC: 2-methyl-2-propan-2-ylsulfanylpropane.
Chemical Property Profile of tert-Butyl Isopropyl sulfide
Property Insights of tert-Butyl Isopropyl sulfide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl Isopropyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, tert-Butyl Isopropyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl Isopropyl 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 tert-Butyl Isopropyl sulfide?
The CAS number of tert-Butyl Isopropyl sulfide is 44657-76-3.
What is the molecular formula of tert-Butyl Isopropyl sulfide?
The molecular formula of tert-Butyl Isopropyl sulfide is C7H16S.
What is the molecular weight of tert-Butyl Isopropyl sulfide?
The molecular weight of tert-Butyl Isopropyl sulfide is 132.10 g/mol.
Where can I buy tert-Butyl Isopropyl sulfide?
You can request a quote for tert-Butyl Isopropyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl Isopropyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl Isopropyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.