1-(Acetylmercapto)-2,2-dichloroethane
TL;DR: 1-(Acetylmercapto)-2,2-dichloroethane (CAS 7151-78-2) is a chemical compound with molecular formula C4H6Cl2OS and molecular weight 171.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,2-dichloroethyl) ethanethioate
Also Known As: s-(2,2-dichloroethyl) ethanethioate, 1-(ACETYLMERCAPTO)-2,2-DICHLOROETHANE, 663-960-5, RefChem:426908
| Molecular Formula | C4H6Cl2OS |
|---|---|
| Molecular Weight | 171.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.95164 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 7151-78-2 |
|---|---|
| SMILES | CC(=O)SCC(Cl)Cl |
| InChIKey | CUGMQUOPCTUFLD-UHFFFAOYSA-N |
Product Overview
1-(Acetylmercapto)-2,2-dichloroethane (CAS 7151-78-2), with molecular formula C4H6Cl2OS and molecular weight 171.95 g/mol. IUPAC: S-(2,2-dichloroethyl) ethanethioate.
Chemical Property Profile of 1-(Acetylmercapto)-2,2-dichloroethane
Property Insights of 1-(Acetylmercapto)-2,2-dichloroethane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Acetylmercapto)-2,2-dichloroethane. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(Acetylmercapto)-2,2-dichloroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Acetylmercapto)-2,2-dichloroethane 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 1-(Acetylmercapto)-2,2-dichloroethane?
The CAS number of 1-(Acetylmercapto)-2,2-dichloroethane is 7151-78-2.
What is the molecular formula of 1-(Acetylmercapto)-2,2-dichloroethane?
The molecular formula of 1-(Acetylmercapto)-2,2-dichloroethane is C4H6Cl2OS.
What is the molecular weight of 1-(Acetylmercapto)-2,2-dichloroethane?
The molecular weight of 1-(Acetylmercapto)-2,2-dichloroethane is 171.95 g/mol.
Where can I buy 1-(Acetylmercapto)-2,2-dichloroethane?
You can request a quote for 1-(Acetylmercapto)-2,2-dichloroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Acetylmercapto)-2,2-dichloroethane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Acetylmercapto)-2,2-dichloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.