3-Buten-2-one, 4-(phenylthio)-
TL;DR: 3-Buten-2-one, 4-(phenylthio)- (CAS 92897-11-5) is a chemical compound with molecular formula C10H10OS and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanylbut-3-en-2-one
Also Known As: 4-phenylsulfanylbut-3-en-2-one, 3-Buten-2-one, 4-(phenylthio)-, 2,1,3-Benzoselenadiazole,5-fluoro, (E)-4-phenylsulfanylbut-3-en-2-one, 4-(PHENYLSULFANYL)BUT-3-EN-2-ONE
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.8814 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 277.14987 |
Chemical Identifiers
| CAS Number | 92897-11-5 |
|---|---|
| SMILES | CC(=O)C=CSC1=CC=CC=C1 |
Product Overview
3-Buten-2-one, 4-(phenylthio)- (CAS 92897-11-5), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: 4-phenylsulfanylbut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(phenylthio)-
Property Insights of 3-Buten-2-one, 4-(phenylthio)-
The XLogP value of 2.8814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(phenylthio)-. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Buten-2-one, 4-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(phenylthio)- 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-Buten-2-one, 4-(phenylthio)-?
The CAS number of 3-Buten-2-one, 4-(phenylthio)- is 92897-11-5.
What is the molecular formula of 3-Buten-2-one, 4-(phenylthio)-?
The molecular formula of 3-Buten-2-one, 4-(phenylthio)- is C10H10OS.
What is the molecular weight of 3-Buten-2-one, 4-(phenylthio)-?
The molecular weight of 3-Buten-2-one, 4-(phenylthio)- is 178.05 g/mol.
Where can I buy 3-Buten-2-one, 4-(phenylthio)-?
You can request a quote for 3-Buten-2-one, 4-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.