![2-[(Phenylthio)methyl]-2-cyclopenten-1-one structure](/static/products/7604/76047-52-4.webp)
2-[(Phenylthio)methyl]-2-cyclopenten-1-one
TL;DR: 2-[(Phenylthio)methyl]-2-cyclopenten-1-one (CAS 76047-52-4) is a chemical compound with molecular formula C12H12OS and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylsulfanylmethyl)cyclopent-2-en-1-one
Also Known As: 2-[(Phenylthio)methyl]-2-cyclopenten-1-one, 2-(phenylsulfanylmethyl)cyclopent-2-en-1-one, 2-(phenylthiomethyl)cyclopent-2-en-1-one, 2-((Phenylthio)methyl)-2-cyclopenten-1-one, 2-[(phenylthio)methyl]cyclopent-2-en-1-one
| Molecular Formula | C12H12OS |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.06088 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 76047-52-4 |
|---|---|
| SMILES | C1CC(=O)C(=C1)CSC2=CC=CC=C2 |
| InChIKey | HUDFUXLPNGIURP-UHFFFAOYSA-N |
Product Overview
2-[(Phenylthio)methyl]-2-cyclopenten-1-one (CAS 76047-52-4), with molecular formula C12H12OS and molecular weight 204.06 g/mol. IUPAC: 2-(phenylsulfanylmethyl)cyclopent-2-en-1-one.
Chemical Property Profile of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one
Property Insights of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Phenylthio)methyl]-2-cyclopenten-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2-[(Phenylthio)methyl]-2-cyclopenten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Phenylthio)methyl]-2-cyclopenten-1-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 2-[(Phenylthio)methyl]-2-cyclopenten-1-one?
The CAS number of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one is 76047-52-4.
What is the molecular formula of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one?
The molecular formula of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one is C12H12OS.
What is the molecular weight of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one?
The molecular weight of 2-[(Phenylthio)methyl]-2-cyclopenten-1-one is 204.06 g/mol.
Where can I buy 2-[(Phenylthio)methyl]-2-cyclopenten-1-one?
You can request a quote for 2-[(Phenylthio)methyl]-2-cyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Phenylthio)methyl]-2-cyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Phenylthio)methyl]-2-cyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.