2-Propanone, 1-chloro-1-(phenylthio)-
TL;DR: 2-Propanone, 1-chloro-1-(phenylthio)- (CAS 69753-43-1) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-phenylsulfanylpropan-2-one
Also Known As: 2-Propanone, 1-chloro-1-(phenylthio)-, 1-chloro-1-phenylsulfanylpropan-2-one, 1-chloro-1-phenylthio-2-propanone, 1-Chloro-1-(phenylsulfanyl)acetone, 1-Chloro-1-(phenylsulfanyl)acetone #
| Molecular Formula | C9H9ClOS |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.00627 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 69753-43-1 |
|---|---|
| SMILES | CC(=O)C(SC1=CC=CC=C1)Cl |
| InChIKey | WYUBNAFTDWNQKR-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1-chloro-1-(phenylthio)- (CAS 69753-43-1), with molecular formula C9H9ClOS and molecular weight 200.01 g/mol. IUPAC: 1-chloro-1-phenylsulfanylpropan-2-one.
Chemical Property Profile of 2-Propanone, 1-chloro-1-(phenylthio)-
Property Insights of 2-Propanone, 1-chloro-1-(phenylthio)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-chloro-1-(phenylthio)-. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Propanone, 1-chloro-1-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-chloro-1-(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 2-Propanone, 1-chloro-1-(phenylthio)-?
The CAS number of 2-Propanone, 1-chloro-1-(phenylthio)- is 69753-43-1.
What is the molecular formula of 2-Propanone, 1-chloro-1-(phenylthio)-?
The molecular formula of 2-Propanone, 1-chloro-1-(phenylthio)- is C9H9ClOS.
What is the molecular weight of 2-Propanone, 1-chloro-1-(phenylthio)-?
The molecular weight of 2-Propanone, 1-chloro-1-(phenylthio)- is 200.01 g/mol.
Where can I buy 2-Propanone, 1-chloro-1-(phenylthio)-?
You can request a quote for 2-Propanone, 1-chloro-1-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-chloro-1-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-chloro-1-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.