4-(Tert-butylsulfanyl)butan-1-ol
TL;DR: 4-(Tert-butylsulfanyl)butan-1-ol (CAS 2327-14-2) is a chemical compound with molecular formula C8H18OS and molecular weight 162.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylsulfanylbutan-1-ol
Also Known As: 4-tert-butylsulfanylbutan-1-ol, 4-(tert-butylsulfanyl)butan-1-ol, tert-Butyl-hydroxybutylsulfid, 4-(tert-Butylthio)butan-1-ol, 1-Butanol, 4-[(1,1-dimethylethyl)thio]-
| Molecular Formula | C8H18OS |
|---|---|
| Molecular Weight | 162.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.10783 |
| Heavy Atoms | 10 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 2327-14-2 |
|---|---|
| SMILES | CC(C)(C)SCCCCO |
| InChIKey | DUCLEUNUNOIYKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Tert-butylsulfanyl)butan-1-ol (CAS 2327-14-2), with molecular formula C8H18OS and molecular weight 162.11 g/mol. IUPAC: 4-tert-butylsulfanylbutan-1-ol.
Chemical Property Profile of 4-(Tert-butylsulfanyl)butan-1-ol
Property Insights of 4-(Tert-butylsulfanyl)butan-1-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Tert-butylsulfanyl)butan-1-ol. With a topological polar surface area (TPSA) of 45.5 Ų, 4-(Tert-butylsulfanyl)butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Tert-butylsulfanyl)butan-1-ol has 1 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 4-(Tert-butylsulfanyl)butan-1-ol?
The CAS number of 4-(Tert-butylsulfanyl)butan-1-ol is 2327-14-2.
What is the molecular formula of 4-(Tert-butylsulfanyl)butan-1-ol?
The molecular formula of 4-(Tert-butylsulfanyl)butan-1-ol is C8H18OS.
What is the molecular weight of 4-(Tert-butylsulfanyl)butan-1-ol?
The molecular weight of 4-(Tert-butylsulfanyl)butan-1-ol is 162.11 g/mol.
Where can I buy 4-(Tert-butylsulfanyl)butan-1-ol?
You can request a quote for 4-(Tert-butylsulfanyl)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butylsulfanyl)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butylsulfanyl)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.