O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate
TL;DR: O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate (CAS 42574-00-5) is a chemical compound with molecular formula C10H16O2S2 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate
Also Known As: O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate, O-isopropyl S-(2-oxocyclohexyl) dithiocarbonate, S-(2-Oxocyclohexyl) O-(propan-2-yl) carbonodithioate, (2-oxo-cyclohexyl)sulfanyl-methanethioic acid O-isopropyl ester
| Molecular Formula | C10H16O2S2 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.05917 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 42574-00-5 |
|---|---|
| SMILES | CC(C)OC(=S)SC1CCCCC1=O |
| InChIKey | ZNJQQCUOZNPDSK-UHFFFAOYSA-N |
Product Overview
O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate (CAS 42574-00-5), with molecular formula C10H16O2S2 and molecular weight 232.06 g/mol. IUPAC: O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate.
Chemical Property Profile of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate
Property Insights of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate
The XLogP value of 3.1 indicates that O-propan-2-yl (2-oxocyclohexyl)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-oxocyclohexyl)sulfanylmethanethioate. Following Lipinski's Rule of Five, O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate 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 (2-oxocyclohexyl)sulfanylmethanethioate?
The CAS number of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate is 42574-00-5.
What is the molecular formula of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate?
The molecular formula of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate is C10H16O2S2.
What is the molecular weight of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate?
The molecular weight of O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate is 232.06 g/mol.
Where can I buy O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate?
You can request a quote for O-propan-2-yl (2-oxocyclohexyl)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-oxocyclohexyl)sulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-propan-2-yl (2-oxocyclohexyl)sulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.