2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-
TL;DR: 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- (CAS 31639-15-3) is a chemical compound with molecular formula C11H12ClNS and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(dimethylamino)prop-2-ene-1-thione
Also Known As: 1-Docosanamine,hydrobromide, 1-(4-chlorophenyl)-3-(dimethylamino)prop-2-ene-1-thione, 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-, 1-(4-chlorophenyl)-3-dimethylamino-prop-2-ene-1-thione
| Molecular Formula | C11H12ClNS |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 3.1333 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0379 |
| Heavy Atoms | 14 |
| Complexity | 340.8101 |
Chemical Identifiers
| CAS Number | 31639-15-3 |
|---|---|
| SMILES | CN(C)C=CC(=S)C1=CC=C(C=C1)Cl |
Product Overview
2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- (CAS 31639-15-3), with molecular formula C11H12ClNS and molecular weight 225.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(dimethylamino)prop-2-ene-1-thione.
Chemical Property Profile of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-
Property Insights of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-
The XLogP value of 3.1333 indicates that 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- 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 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-?
The CAS number of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- is 31639-15-3.
What is the molecular formula of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-?
The molecular formula of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- is C11H12ClNS.
What is the molecular weight of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-?
The molecular weight of 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- is 225.04 g/mol.
Where can I buy 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-?
You can request a quote for 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propene-1-thione, 1-(4-chlorophenyl)-3-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.