2-(4-chlorophenyl)-N,N-dimethylethanethioamide
TL;DR: 2-(4-chlorophenyl)-N,N-dimethylethanethioamide (CAS 76579-51-6) is a chemical compound with molecular formula C10H12ClNS and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N,N-dimethylethanethioamide
Also Known As: 2-(4-chlorophenyl)-N,N-dimethylethanethioamide, 1B-055, 2-(4-chlorophenyl)-N,N-dimethyl-thioacetamide, Benzeneethanethioamide, 4-chloro-N,N-dimethyl-, 2-(4-chlorophenyl)-N,N-dimethylethanethio-amide
| Molecular Formula | C10H12ClNS |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.7715 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0379 |
| Heavy Atoms | 13 |
| Complexity | 292.29797 |
Chemical Identifiers
| CAS Number | 76579-51-6 |
|---|---|
| SMILES | CN(C)C(=S)CC1=CC=C(C=C1)Cl |
Product Overview
2-(4-chlorophenyl)-N,N-dimethylethanethioamide (CAS 76579-51-6), with molecular formula C10H12ClNS and molecular weight 213.04 g/mol. IUPAC: 2-(4-chlorophenyl)-N,N-dimethylethanethioamide.
Chemical Property Profile of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide
Property Insights of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide
The XLogP value of 2.7715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)-N,N-dimethylethanethioamide. With a topological polar surface area (TPSA) of 3.24 Ų, 2-(4-chlorophenyl)-N,N-dimethylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-N,N-dimethylethanethioamide has 0 hydrogen bond donor(s) and 1 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 2-(4-chlorophenyl)-N,N-dimethylethanethioamide?
The CAS number of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide is 76579-51-6.
What is the molecular formula of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide?
The molecular formula of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide is C10H12ClNS.
What is the molecular weight of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide?
The molecular weight of 2-(4-chlorophenyl)-N,N-dimethylethanethioamide is 213.04 g/mol.
Where can I buy 2-(4-chlorophenyl)-N,N-dimethylethanethioamide?
You can request a quote for 2-(4-chlorophenyl)-N,N-dimethylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-N,N-dimethylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-N,N-dimethylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.