叔丁基间甲苯基硫醚
TL;DR: 叔丁基间甲苯基硫醚 (CAS 34786-26-0) is a chemical compound with molecular formula C11H16S and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基间甲苯基硫醚
1-tert-butylsulfanyl-3-methylbenzene
Also Known As: tert-Butyl m-tolyl sulfide, m-Tolyl-t-butylsulfid, tert-butyl(m-tolyl)sulfane, tert-Butyl(m-tolyl) sulfide, Tert-butyl (m-tolyl) sulfide
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 34786-26-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC(C)(C)C |
| InChIKey | NOSDQZYLLGTSNW-UHFFFAOYSA-N |
Product Overview
叔丁基间甲苯基硫醚 (CAS 34786-26-0), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 1-tert-butylsulfanyl-3-methylbenzene.
Chemical Property Profile of 叔丁基间甲苯基硫醚
Property Insights of 叔丁基间甲苯基硫醚
The XLogP value of 4.1 indicates that 叔丁基间甲苯基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 叔丁基间甲苯基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基间甲苯基硫醚 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 叔丁基间甲苯基硫醚?
The CAS number of 叔丁基间甲苯基硫醚 is 34786-26-0.
What is the molecular formula of 叔丁基间甲苯基硫醚?
The molecular formula of 叔丁基间甲苯基硫醚 is C11H16S.
What is the molecular weight of 叔丁基间甲苯基硫醚?
The molecular weight of 叔丁基间甲苯基硫醚 is 180.10 g/mol.
Where can I buy 叔丁基间甲苯基硫醚?
You can request a quote for 叔丁基间甲苯基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基间甲苯基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基间甲苯基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.