2,4-Dimethylpentane-3-thione
TL;DR: 2,4-Dimethylpentane-3-thione (CAS 13390-86-8) is a chemical compound with molecular formula C7H14S and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylpentane-3-thione
Also Known As: 2,4-dimethylpentane-3-thione, Diisopropyl thioketone, 3-pentanethione, 2,4-dimethyl-, 2.4-Dimethylpentane-3-thione, 2,4-Dimethyl-pentan-thion-3
| Molecular Formula | C7H14S |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.08162 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 13390-86-8 |
|---|---|
| SMILES | CC(C)C(=S)C(C)C |
| InChIKey | BJVASRMDOMQXRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylpentane-3-thione (CAS 13390-86-8), with molecular formula C7H14S and molecular weight 130.08 g/mol. IUPAC: 2,4-dimethylpentane-3-thione.
Chemical Property Profile of 2,4-Dimethylpentane-3-thione
Property Insights of 2,4-Dimethylpentane-3-thione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylpentane-3-thione. With a topological polar surface area (TPSA) of 32.1 Ų, 2,4-Dimethylpentane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylpentane-3-thione has 0 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 2,4-Dimethylpentane-3-thione?
The CAS number of 2,4-Dimethylpentane-3-thione is 13390-86-8.
What is the molecular formula of 2,4-Dimethylpentane-3-thione?
The molecular formula of 2,4-Dimethylpentane-3-thione is C7H14S.
What is the molecular weight of 2,4-Dimethylpentane-3-thione?
The molecular weight of 2,4-Dimethylpentane-3-thione is 130.08 g/mol.
Where can I buy 2,4-Dimethylpentane-3-thione?
You can request a quote for 2,4-Dimethylpentane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylpentane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylpentane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.