Dihydro-2-methyl-3(2H)-thiophenone
TL;DR: Dihydro-2-methyl-3(2H)-thiophenone (CAS 13679-85-1) is a chemical compound with molecular formula C5H8OS and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylthiolan-3-one
Also Known As: 2-Methyltetrahydrothiophen-3-one, 2-Methylthiolan-3-one, Dihydro-2-methyl-3(2H)-thiophenone, 2-Methyldihydrothiophen-3(2H)-one, 3(2H)-Thiophenone, dihydro-2-methyl-
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.02959 |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
| Density | 0.958-0.970 |
| Solubility | insoluble in water; soluble in alcohol, fats |
| Refractive Index | 1.510-1.520 |
Chemical Identifiers
| CAS Number | 13679-85-1 |
|---|---|
| SMILES | CC1C(=O)CCS1 |
| InChIKey | YMZZPMVKABUEBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydro-2-methyl-3(2H)-thiophenone (CAS 13679-85-1), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: 2-methylthiolan-3-one.
Chemical Property Profile of Dihydro-2-methyl-3(2H)-thiophenone
Property Insights of Dihydro-2-methyl-3(2H)-thiophenone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-2-methyl-3(2H)-thiophenone. With a topological polar surface area (TPSA) of 42.4 Ų, Dihydro-2-methyl-3(2H)-thiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydro-2-methyl-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
Frequently Asked Questions
What is the CAS number of Dihydro-2-methyl-3(2H)-thiophenone?
The CAS number of Dihydro-2-methyl-3(2H)-thiophenone is 13679-85-1.
What is the molecular formula of Dihydro-2-methyl-3(2H)-thiophenone?
The molecular formula of Dihydro-2-methyl-3(2H)-thiophenone is C5H8OS.
What is the molecular weight of Dihydro-2-methyl-3(2H)-thiophenone?
The molecular weight of Dihydro-2-methyl-3(2H)-thiophenone is 116.03 g/mol.
Where can I buy Dihydro-2-methyl-3(2H)-thiophenone?
You can request a quote for Dihydro-2-methyl-3(2H)-thiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro-2-methyl-3(2H)-thiophenone?
Yes, KEHONG BIO provides custom synthesis services for Dihydro-2-methyl-3(2H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.