1-Propyne, 1-((2-methylpropyl)thio)-
TL;DR: 1-Propyne, 1-((2-methylpropyl)thio)- (CAS 56444-80-5) 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-1-prop-1-ynylsulfanylpropane
Also Known As: 2-methyl-1-prop-1-ynylsulfanyl-propane, 1-Propyne, 1-((2-methylpropyl)thio)-, 2-methyl-1-prop-1-ynylsulfanylpropane, 1-Propyne, 1-[(2-methylpropyl)thio]-, 1-[(2-METHYLPROPYL)SULFANYL]PROP-1-YNE
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 56444-80-5 |
|---|---|
| SMILES | CC#CSCC(C)C |
| InChIKey | MTNSEVRHOHANSK-UHFFFAOYSA-N |
Product Overview
1-Propyne, 1-((2-methylpropyl)thio)- (CAS 56444-80-5), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 2-methyl-1-prop-1-ynylsulfanylpropane.
Chemical Property Profile of 1-Propyne, 1-((2-methylpropyl)thio)-
Property Insights of 1-Propyne, 1-((2-methylpropyl)thio)-
The XLogP value of 3.1 indicates that 1-Propyne, 1-((2-methylpropyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Propyne, 1-((2-methylpropyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyne, 1-((2-methylpropyl)thio)- 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 1-Propyne, 1-((2-methylpropyl)thio)-?
The CAS number of 1-Propyne, 1-((2-methylpropyl)thio)- is 56444-80-5.
What is the molecular formula of 1-Propyne, 1-((2-methylpropyl)thio)-?
The molecular formula of 1-Propyne, 1-((2-methylpropyl)thio)- is C7H12S.
What is the molecular weight of 1-Propyne, 1-((2-methylpropyl)thio)-?
The molecular weight of 1-Propyne, 1-((2-methylpropyl)thio)- is 128.07 g/mol.
Where can I buy 1-Propyne, 1-((2-methylpropyl)thio)-?
You can request a quote for 1-Propyne, 1-((2-methylpropyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyne, 1-((2-methylpropyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyne, 1-((2-methylpropyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.