2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-
TL;DR: 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- (CAS 69798-75-0) is a chemical compound with molecular formula C12H15ClOS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-methyl-3-phenylsulfanylpentan-2-one
Also Known As: 1-chloro-4-methyl-3-phenylthio-2-pentanone, 1-Chloro-3-(phenylthio)-4-methyl-2-pentanone, 1-chloro-4-methyl-3-phenylsulfanylpentan-2-one, 1-Chloro-4-methyl-3-(phenylsulfanyl)-2-pentanone, 1-chloro-4-methyl-3-(phenylsulfanyl)pentan-2-one
| Molecular Formula | C12H15ClOS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0532 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 69798-75-0 |
|---|---|
| SMILES | CC(C)C(C(=O)CCl)SC1=CC=CC=C1 |
| InChIKey | REXQGAVEOJFRMU-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- (CAS 69798-75-0), with molecular formula C12H15ClOS and molecular weight 242.05 g/mol. IUPAC: 1-chloro-4-methyl-3-phenylsulfanylpentan-2-one.
Chemical Property Profile of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-
Property Insights of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-
The XLogP value of 4.2 indicates that 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- 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-phenylthio-1-(1-methylethyl)-3-chloro-?
The CAS number of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- is 69798-75-0.
What is the molecular formula of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-?
The molecular formula of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- is C12H15ClOS.
What is the molecular weight of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-?
The molecular weight of 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- is 242.05 g/mol.
Where can I buy 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-?
You can request a quote for 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- 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-phenylthio-1-(1-methylethyl)-3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.