3,3,6,6-四甲基-1-硫杂-4-环庚炔
TL;DR: 3,3,6,6-四甲基-1-硫杂-4-环庚炔 (CAS 26825-18-3) is a chemical compound with molecular formula C10H16S and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-四甲基-1-硫杂-4-环庚炔
3,3,6,6-tetramethyl-1-thiacyclohept-4-yne
Also Known As: 3,3,6,6-tetramethyl-1-thiacyclohept-4-yne, 3,3,6,6-Tetramethyl-1-thiacycloheptyne, 3,3,7,7-Tetramethyl-5-thiacycloheptyne, 3,3,6,6-tetramethyl-1-thia-4-cycloheptyne, Thiepin, 4,5-didehydro-2,3,6,7-tetrahydro-3,3,6,6-tetramethyl-
| Molecular Formula | C10H16S |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.09727 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 26825-18-3 |
|---|---|
| SMILES | CC1(CSCC(C#C1)(C)C)C |
| InChIKey | QCNBVCLCFRYPRI-UHFFFAOYSA-N |
Product Overview
3,3,6,6-四甲基-1-硫杂-4-环庚炔 (CAS 26825-18-3), with molecular formula C10H16S and molecular weight 168.10 g/mol. IUPAC: 3,3,6,6-tetramethyl-1-thiacyclohept-4-yne.
Chemical Property Profile of 3,3,6,6-四甲基-1-硫杂-4-环庚炔
Property Insights of 3,3,6,6-四甲基-1-硫杂-4-环庚炔
The XLogP value of 3.4 indicates that 3,3,6,6-四甲基-1-硫杂-4-环庚炔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3,3,6,6-四甲基-1-硫杂-4-环庚炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6,6-四甲基-1-硫杂-4-环庚炔 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 3,3,6,6-四甲基-1-硫杂-4-环庚炔?
The CAS number of 3,3,6,6-四甲基-1-硫杂-4-环庚炔 is 26825-18-3.
What is the molecular formula of 3,3,6,6-四甲基-1-硫杂-4-环庚炔?
The molecular formula of 3,3,6,6-四甲基-1-硫杂-4-环庚炔 is C10H16S.
What is the molecular weight of 3,3,6,6-四甲基-1-硫杂-4-环庚炔?
The molecular weight of 3,3,6,6-四甲基-1-硫杂-4-环庚炔 is 168.10 g/mol.
Where can I buy 3,3,6,6-四甲基-1-硫杂-4-环庚炔?
You can request a quote for 3,3,6,6-四甲基-1-硫杂-4-环庚炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6,6-四甲基-1-硫杂-4-环庚炔?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-四甲基-1-硫杂-4-环庚炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.