O-propan-2-yl phenacylsulfanylmethanethioate
TL;DR: O-propan-2-yl phenacylsulfanylmethanethioate (CAS 42574-08-3) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl phenacylsulfanylmethanethioate
Also Known As: O-propan-2-yl phenacylsulfanylmethanethioate, O-Isopropyl-S-phenacyldithiocarbonat, S-(2-Oxo-2-phenylethyl) O-(propan-2-yl) carbonodithioate, RefChem:366520
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 42574-08-3 |
|---|---|
| SMILES | CC(C)OC(=S)SCC(=O)C1=CC=CC=C1 |
| InChIKey | SRYMTOQAEMEYGE-UHFFFAOYSA-N |
Product Overview
O-propan-2-yl phenacylsulfanylmethanethioate (CAS 42574-08-3), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: O-propan-2-yl phenacylsulfanylmethanethioate.
Chemical Property Profile of O-propan-2-yl phenacylsulfanylmethanethioate
Property Insights of O-propan-2-yl phenacylsulfanylmethanethioate
The XLogP value of 3.9 indicates that O-propan-2-yl phenacylsulfanylmethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for O-propan-2-yl phenacylsulfanylmethanethioate. Following Lipinski's Rule of Five, O-propan-2-yl phenacylsulfanylmethanethioate has 0 hydrogen bond donor(s) and 4 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 O-propan-2-yl phenacylsulfanylmethanethioate?
The CAS number of O-propan-2-yl phenacylsulfanylmethanethioate is 42574-08-3.
What is the molecular formula of O-propan-2-yl phenacylsulfanylmethanethioate?
The molecular formula of O-propan-2-yl phenacylsulfanylmethanethioate is C12H14O2S2.
What is the molecular weight of O-propan-2-yl phenacylsulfanylmethanethioate?
The molecular weight of O-propan-2-yl phenacylsulfanylmethanethioate is 254.04 g/mol.
Where can I buy O-propan-2-yl phenacylsulfanylmethanethioate?
You can request a quote for O-propan-2-yl phenacylsulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-propan-2-yl phenacylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-propan-2-yl phenacylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.