(2-Thienylthio)acetone
TL;DR: (2-Thienylthio)acetone (CAS 5911-99-9) is a chemical compound with molecular formula C7H8OS2 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylsulfanylpropan-2-one
Also Known As: (2-Thienylthio)acetone, acetone, 1-(2-Thienylthio)acetone, 1- acetone, acetonylmercaptothiophene
| Molecular Formula | C7H8OS2 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.00166 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 5911-99-9 |
|---|---|
| SMILES | CC(=O)CSC1=CC=CS1 |
| InChIKey | YZNDRLAITXPMSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Thienylthio)acetone (CAS 5911-99-9), with molecular formula C7H8OS2 and molecular weight 172.00 g/mol. IUPAC: 1-thiophen-2-ylsulfanylpropan-2-one.
Chemical Property Profile of (2-Thienylthio)acetone
Property Insights of (2-Thienylthio)acetone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Thienylthio)acetone. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Thienylthio)acetone. Following Lipinski's Rule of Five, (2-Thienylthio)acetone has 0 hydrogen bond donor(s) and 3 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-Thienylthio)acetone?
The CAS number of (2-Thienylthio)acetone is 5911-99-9.
What is the molecular formula of (2-Thienylthio)acetone?
The molecular formula of (2-Thienylthio)acetone is C7H8OS2.
What is the molecular weight of (2-Thienylthio)acetone?
The molecular weight of (2-Thienylthio)acetone is 172.00 g/mol.
Where can I buy (2-Thienylthio)acetone?
You can request a quote for (2-Thienylthio)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Thienylthio)acetone?
Yes, KEHONG BIO provides custom synthesis services for (2-Thienylthio)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.