Dihydro-3(2H)-thiophenone
TL;DR: Dihydro-3(2H)-thiophenone (CAS 1003-04-9) is a chemical compound with molecular formula C4H6OS and molecular weight 102.01394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thiolan-3-one
Also Known As: Tetrahydrothiophen-3-one, Thiolan-3-one, 3-Thiophanone, Dihydrothiophen-3(2H)-one, 3-Thiacyclopentanone
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6OS |
| Molecular Weight | 102.01394 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.01394 Da |
| Heavy Atoms | 6 |
| Complexity | 69.0 |
| Boiling Point | 175.00 °C. @ 760.00 mm Hg |
| Density | 1.194-1.199 (20°) |
| Refractive Index | 1.527-1.531 |
| SMILES | C1CSCC1=O |
| InChIKey | DSXFPRKPFJRPIB-UHFFFAOYSA-N |
Chemical Property Profile of Dihydro-3(2H)-thiophenone
Property Insights of Dihydro-3(2H)-thiophenone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-3(2H)-thiophenone. With a topological polar surface area (TPSA) of 42.4 Ų, Dihydro-3(2H)-thiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydro-3(2H)-thiophenone 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
What is the CAS number of Dihydro-3(2H)-thiophenone?
The CAS number of Dihydro-3(2H)-thiophenone is 1003-04-9.
What is the molecular formula of Dihydro-3(2H)-thiophenone?
The molecular formula of Dihydro-3(2H)-thiophenone is C4H6OS.
What is the molecular weight of Dihydro-3(2H)-thiophenone?
The molecular weight of Dihydro-3(2H)-thiophenone is 102.01394 g/mol.
Where can I buy Dihydro-3(2H)-thiophenone?
You can request a quote for Dihydro-3(2H)-thiophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydro-3(2H)-thiophenone?
Yes, CoreyChem provides custom synthesis services for Dihydro-3(2H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.