2-Butanol, 1-(phenylthio)-
TL;DR: 2-Butanol, 1-(phenylthio)- (CAS 79345-23-6) is a chemical compound with molecular formula C10H14OS and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylsulfanylbutan-2-ol
Also Known As: phenylthio-2-butanol, 1-phenylsulfanylbutan-2-ol, 2-Butanol, 1-(phenylthio)-, 1-(Phenylthio)-2-butanol, 1-(Phenylsulfanyl)-2-butanol
| Molecular Formula | C10H14OS |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.07654 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 79345-23-6 |
|---|---|
| SMILES | CCC(CSC1=CC=CC=C1)O |
| InChIKey | KGDLDWVKFUCUME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanol, 1-(phenylthio)- (CAS 79345-23-6), with molecular formula C10H14OS and molecular weight 182.08 g/mol. IUPAC: 1-phenylsulfanylbutan-2-ol.
Chemical Property Profile of 2-Butanol, 1-(phenylthio)-
Property Insights of 2-Butanol, 1-(phenylthio)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanol, 1-(phenylthio)-. With a topological polar surface area (TPSA) of 45.5 Ų, 2-Butanol, 1-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol, 1-(phenylthio)- 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 2-Butanol, 1-(phenylthio)-?
The CAS number of 2-Butanol, 1-(phenylthio)- is 79345-23-6.
What is the molecular formula of 2-Butanol, 1-(phenylthio)-?
The molecular formula of 2-Butanol, 1-(phenylthio)- is C10H14OS.
What is the molecular weight of 2-Butanol, 1-(phenylthio)-?
The molecular weight of 2-Butanol, 1-(phenylthio)- is 182.08 g/mol.
Where can I buy 2-Butanol, 1-(phenylthio)-?
You can request a quote for 2-Butanol, 1-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 1-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 1-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.