1,4-Bis(tert-butylsulfanyl)but-2-yne
TL;DR: 1,4-Bis(tert-butylsulfanyl)but-2-yne (CAS 14272-28-7) is a chemical compound with molecular formula C12H22S2 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(tert-butylsulfanyl)but-2-yne
Also Known As: 1,4-bis(tert-butylsulfanyl)but-2-yne, 1,4-Bis(tert-butylthio)-2-butyne, J1.267.598D
| Molecular Formula | C12H22S2 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.11629 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 14272-28-7 |
|---|---|
| SMILES | CC(C)(C)SCC#CCSC(C)(C)C |
| InChIKey | GXYCQKZBUYMLTB-UHFFFAOYSA-N |
Product Overview
1,4-Bis(tert-butylsulfanyl)but-2-yne (CAS 14272-28-7), with molecular formula C12H22S2 and molecular weight 230.12 g/mol. IUPAC: 1,4-bis(tert-butylsulfanyl)but-2-yne.
Chemical Property Profile of 1,4-Bis(tert-butylsulfanyl)but-2-yne
Property Insights of 1,4-Bis(tert-butylsulfanyl)but-2-yne
The XLogP value of 3.6 indicates that 1,4-Bis(tert-butylsulfanyl)but-2-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Bis(tert-butylsulfanyl)but-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(tert-butylsulfanyl)but-2-yne has 0 hydrogen bond donor(s) and 2 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 1,4-Bis(tert-butylsulfanyl)but-2-yne?
The CAS number of 1,4-Bis(tert-butylsulfanyl)but-2-yne is 14272-28-7.
What is the molecular formula of 1,4-Bis(tert-butylsulfanyl)but-2-yne?
The molecular formula of 1,4-Bis(tert-butylsulfanyl)but-2-yne is C12H22S2.
What is the molecular weight of 1,4-Bis(tert-butylsulfanyl)but-2-yne?
The molecular weight of 1,4-Bis(tert-butylsulfanyl)but-2-yne is 230.12 g/mol.
Where can I buy 1,4-Bis(tert-butylsulfanyl)but-2-yne?
You can request a quote for 1,4-Bis(tert-butylsulfanyl)but-2-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(tert-butylsulfanyl)but-2-yne?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(tert-butylsulfanyl)but-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.