1-Butanethiol, 4-(methylthio)-
TL;DR: 1-Butanethiol, 4-(methylthio)- (CAS 66890-94-6) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylbutane-1-thiol
Also Known As: 5-Thia-1-hexanethiol, 4-(METHYLSULFANYL)BUTANE-1-THIOL, 1-Butanethiol, 4-(methylthio)-, 4-methylsulfanylbutane-1-thiol, 4-(Methylsulfanyl)-1-butanethiol
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
Chemical Identifiers
| CAS Number | 66890-94-6 |
|---|---|
| SMILES | CSCCCCS |
| InChIKey | VLSYQLPMYBNHCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanethiol, 4-(methylthio)- (CAS 66890-94-6), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 4-methylsulfanylbutane-1-thiol.
Chemical Property Profile of 1-Butanethiol, 4-(methylthio)-
Property Insights of 1-Butanethiol, 4-(methylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanethiol, 4-(methylthio)-. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Butanethiol, 4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanethiol, 4-(methylthio)- 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 1-Butanethiol, 4-(methylthio)-?
The CAS number of 1-Butanethiol, 4-(methylthio)- is 66890-94-6.
What is the molecular formula of 1-Butanethiol, 4-(methylthio)-?
The molecular formula of 1-Butanethiol, 4-(methylthio)- is C5H12S2.
What is the molecular weight of 1-Butanethiol, 4-(methylthio)-?
The molecular weight of 1-Butanethiol, 4-(methylthio)- is 136.04 g/mol.
Where can I buy 1-Butanethiol, 4-(methylthio)-?
You can request a quote for 1-Butanethiol, 4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanethiol, 4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanethiol, 4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.