3-Methylenedihydro-2(3H)-thiophenone
TL;DR: 3-Methylenedihydro-2(3H)-thiophenone (CAS 62033-73-2) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidenethiolan-2-one
Also Known As: 3-methylidenethiolan-2-one, 3-Methylenedihydro-2(3H)-thiophenone, Dihydrothiophene, 3-methylene-2-one, 3-methylene-tetrahydro-thiophen-2-one, 3-Methylenedihydro-2(3H)-thiophenone #
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 62033-73-2 |
|---|---|
| SMILES | C=C1CCSC1=O |
| InChIKey | JUUKFOZCNXCFPT-UHFFFAOYSA-N |
Product Overview
3-Methylenedihydro-2(3H)-thiophenone (CAS 62033-73-2), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 3-methylidenethiolan-2-one.
Chemical Property Profile of 3-Methylenedihydro-2(3H)-thiophenone
Property Insights of 3-Methylenedihydro-2(3H)-thiophenone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylenedihydro-2(3H)-thiophenone. With a topological polar surface area (TPSA) of 42.4 Ų, 3-Methylenedihydro-2(3H)-thiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylenedihydro-2(3H)-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 3-Methylenedihydro-2(3H)-thiophenone?
The CAS number of 3-Methylenedihydro-2(3H)-thiophenone is 62033-73-2.
What is the molecular formula of 3-Methylenedihydro-2(3H)-thiophenone?
The molecular formula of 3-Methylenedihydro-2(3H)-thiophenone is C5H6OS.
What is the molecular weight of 3-Methylenedihydro-2(3H)-thiophenone?
The molecular weight of 3-Methylenedihydro-2(3H)-thiophenone is 114.01 g/mol.
Where can I buy 3-Methylenedihydro-2(3H)-thiophenone?
You can request a quote for 3-Methylenedihydro-2(3H)-thiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylenedihydro-2(3H)-thiophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylenedihydro-2(3H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.