O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate
TL;DR: O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate (CAS 42573-99-9) is a chemical compound with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate
Also Known As: O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate, 1,2-Diphenyl-2-propan-2-yloxycarbothioylsulfanyl-ethanone, O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioat, S-(2-Oxo-1,2-diphenylethyl) O-(propan-2-yl) carbonodithioate
| Molecular Formula | C18H18O2S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.07483 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 42573-99-9 |
|---|---|
| SMILES | CC(C)OC(=S)SC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | CDCJMDNTPNBAHN-UHFFFAOYSA-N |
Product Overview
O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate (CAS 42573-99-9), with molecular formula C18H18O2S2 and molecular weight 330.07 g/mol. IUPAC: O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate.
Chemical Property Profile of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate
Property Insights of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate
The XLogP value of 5.6 indicates that O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate 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 (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate. Following Lipinski's Rule of Five, O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate?
The CAS number of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate is 42573-99-9.
What is the molecular formula of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate?
The molecular formula of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate is C18H18O2S2.
What is the molecular weight of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate?
The molecular weight of O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate is 330.07 g/mol.
Where can I buy O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate?
You can request a quote for O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate 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 (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-propan-2-yl (2-oxo-1,2-diphenylethyl)sulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.