3-甲基-3-戊硫醇
TL;DR: 3-甲基-3-戊硫醇 (CAS 1639-03-8) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-3-戊硫醇
3-methylpentane-3-thiol
Also Known As: 3-Methylpentane-3-thiol, 3-Methyl-3-pentanethiol, 3-methyl pentan-3-thiol, 3-Pentanethiol,3-methyl-, 3-PENTANETHIOL, 3-METHYL-
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 1639-03-8 |
|---|---|
| SMILES | CCC(C)(CC)S |
| InChIKey | AJWVDGABWLKIGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-3-戊硫醇 (CAS 1639-03-8), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 3-methylpentane-3-thiol.
Chemical Property Profile of 3-甲基-3-戊硫醇
Property Insights of 3-甲基-3-戊硫醇
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-3-戊硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 3-甲基-3-戊硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-3-戊硫醇 has 1 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 3-甲基-3-戊硫醇?
The CAS number of 3-甲基-3-戊硫醇 is 1639-03-8.
What is the molecular formula of 3-甲基-3-戊硫醇?
The molecular formula of 3-甲基-3-戊硫醇 is C6H14S.
What is the molecular weight of 3-甲基-3-戊硫醇?
The molecular weight of 3-甲基-3-戊硫醇 is 118.08 g/mol.
Where can I buy 3-甲基-3-戊硫醇?
You can request a quote for 3-甲基-3-戊硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-3-戊硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-3-戊硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.