O-propan-2-yl 2-oxopropylsulfanylmethanethioate
TL;DR: O-propan-2-yl 2-oxopropylsulfanylmethanethioate (CAS 42573-98-8) is a chemical compound with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl 2-oxopropylsulfanylmethanethioate
Also Known As: O-propan-2-yl 2-oxopropylsulfanylmethanethioate, S-(2-Oxopropyl) O-(propan-2-yl) carbonodithioate
| Molecular Formula | C7H12O2S2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.02788 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 42573-98-8 |
|---|---|
| SMILES | CC(C)OC(=S)SCC(=O)C |
| InChIKey | NVTCRVYJQDSMLK-UHFFFAOYSA-N |
Product Overview
O-propan-2-yl 2-oxopropylsulfanylmethanethioate (CAS 42573-98-8), with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol. IUPAC: O-propan-2-yl 2-oxopropylsulfanylmethanethioate.
Chemical Property Profile of O-propan-2-yl 2-oxopropylsulfanylmethanethioate
Property Insights of O-propan-2-yl 2-oxopropylsulfanylmethanethioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-propan-2-yl 2-oxopropylsulfanylmethanethioate. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for O-propan-2-yl 2-oxopropylsulfanylmethanethioate. Following Lipinski's Rule of Five, O-propan-2-yl 2-oxopropylsulfanylmethanethioate 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-oxopropylsulfanylmethanethioate?
The CAS number of O-propan-2-yl 2-oxopropylsulfanylmethanethioate is 42573-98-8.
What is the molecular formula of O-propan-2-yl 2-oxopropylsulfanylmethanethioate?
The molecular formula of O-propan-2-yl 2-oxopropylsulfanylmethanethioate is C7H12O2S2.
What is the molecular weight of O-propan-2-yl 2-oxopropylsulfanylmethanethioate?
The molecular weight of O-propan-2-yl 2-oxopropylsulfanylmethanethioate is 192.03 g/mol.
Where can I buy O-propan-2-yl 2-oxopropylsulfanylmethanethioate?
You can request a quote for O-propan-2-yl 2-oxopropylsulfanylmethanethioate 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-oxopropylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-propan-2-yl 2-oxopropylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.