5-(Propan-2-yl)thiolan-3-one
TL;DR: 5-(Propan-2-yl)thiolan-3-one (CAS 75782-71-7) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-ylthiolan-3-one
Also Known As: 5-(propan-2-yl)thiolan-3-one, 5-propan-2-ylthiolan-3-one, 5-isopropylthiolan-3-one, 5-Isopropyldihydro-3(2H)-thiophenone, 5-Isopropyldihydro-3(2H)-thiophenone #
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 75782-71-7 |
|---|---|
| SMILES | CC(C)C1CC(=O)CS1 |
| InChIKey | ZMMJGZLCIJRYDL-UHFFFAOYSA-N |
Product Overview
5-(Propan-2-yl)thiolan-3-one (CAS 75782-71-7), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 5-propan-2-ylthiolan-3-one.
Chemical Property Profile of 5-(Propan-2-yl)thiolan-3-one
Property Insights of 5-(Propan-2-yl)thiolan-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Propan-2-yl)thiolan-3-one. With a topological polar surface area (TPSA) of 42.4 Ų, 5-(Propan-2-yl)thiolan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Propan-2-yl)thiolan-3-one has 0 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 5-(Propan-2-yl)thiolan-3-one?
The CAS number of 5-(Propan-2-yl)thiolan-3-one is 75782-71-7.
What is the molecular formula of 5-(Propan-2-yl)thiolan-3-one?
The molecular formula of 5-(Propan-2-yl)thiolan-3-one is C7H12OS.
What is the molecular weight of 5-(Propan-2-yl)thiolan-3-one?
The molecular weight of 5-(Propan-2-yl)thiolan-3-one is 144.06 g/mol.
Where can I buy 5-(Propan-2-yl)thiolan-3-one?
You can request a quote for 5-(Propan-2-yl)thiolan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Propan-2-yl)thiolan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Propan-2-yl)thiolan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.