5,5-Dimethyl-4-thia-1-hexyne
TL;DR: 5,5-Dimethyl-4-thia-1-hexyne (CAS 1595-34-2) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-prop-2-ynylsulfanylpropane
Also Known As: 5,5-dimethyl-4-thia-1-hexyne, tert.-Butyl propargyl sulfide, 3-t-butylsulfanylprop-1-yne, 2-methyl-2-prop-2-ynylsulfanylpropane, 3-[(1',1'-dimethylethyl)thio]-1-propyne
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1595-34-2 |
|---|---|
| SMILES | CC(C)(C)SCC#C |
| InChIKey | SHONSRZOTAXGMU-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-4-thia-1-hexyne (CAS 1595-34-2), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 2-methyl-2-prop-2-ynylsulfanylpropane.
Chemical Property Profile of 5,5-Dimethyl-4-thia-1-hexyne
Property Insights of 5,5-Dimethyl-4-thia-1-hexyne
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-4-thia-1-hexyne. With a topological polar surface area (TPSA) of 25.3 Ų, 5,5-Dimethyl-4-thia-1-hexyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-4-thia-1-hexyne 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 5,5-Dimethyl-4-thia-1-hexyne?
The CAS number of 5,5-Dimethyl-4-thia-1-hexyne is 1595-34-2.
What is the molecular formula of 5,5-Dimethyl-4-thia-1-hexyne?
The molecular formula of 5,5-Dimethyl-4-thia-1-hexyne is C7H12S.
What is the molecular weight of 5,5-Dimethyl-4-thia-1-hexyne?
The molecular weight of 5,5-Dimethyl-4-thia-1-hexyne is 128.07 g/mol.
Where can I buy 5,5-Dimethyl-4-thia-1-hexyne?
You can request a quote for 5,5-Dimethyl-4-thia-1-hexyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-4-thia-1-hexyne?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-4-thia-1-hexyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.