4-(Dimethylamino)phenyl benzylcarbamodithioate
TL;DR: 4-(Dimethylamino)phenyl benzylcarbamodithioate (CAS 87590-86-1) is a chemical compound with molecular formula C16H18N2S2 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)phenyl] N-benzylcarbamodithioate
Also Known As: 4-(Dimethylamino)phenyl benzylcarbamodithioate, (4-dimethylaminophenyl) N-benzylcarbamodithioate, [4-(dimethylamino)phenyl] N-benzylcarbamodithioate, N-BENZYL-1-(4-DIMETHYLAMINOPHENYL)SULFANYL-METHANETHIOAMIDE
| Molecular Formula | C16H18N2S2 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.9194 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.09116 |
| Heavy Atoms | 20 |
| Complexity | 550.4494 |
Chemical Identifiers
| CAS Number | 87590-86-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)SC(=S)NCC2=CC=CC=C2 |
Product Overview
4-(Dimethylamino)phenyl benzylcarbamodithioate (CAS 87590-86-1), with molecular formula C16H18N2S2 and molecular weight 302.09 g/mol. IUPAC: [4-(dimethylamino)phenyl] N-benzylcarbamodithioate.
Chemical Property Profile of 4-(Dimethylamino)phenyl benzylcarbamodithioate
Property Insights of 4-(Dimethylamino)phenyl benzylcarbamodithioate
The XLogP value of 3.9194 indicates that 4-(Dimethylamino)phenyl benzylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 4-(Dimethylamino)phenyl benzylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)phenyl benzylcarbamodithioate has 1 hydrogen bond donor(s) and 3 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 4-(Dimethylamino)phenyl benzylcarbamodithioate?
The CAS number of 4-(Dimethylamino)phenyl benzylcarbamodithioate is 87590-86-1.
What is the molecular formula of 4-(Dimethylamino)phenyl benzylcarbamodithioate?
The molecular formula of 4-(Dimethylamino)phenyl benzylcarbamodithioate is C16H18N2S2.
What is the molecular weight of 4-(Dimethylamino)phenyl benzylcarbamodithioate?
The molecular weight of 4-(Dimethylamino)phenyl benzylcarbamodithioate is 302.09 g/mol.
Where can I buy 4-(Dimethylamino)phenyl benzylcarbamodithioate?
You can request a quote for 4-(Dimethylamino)phenyl benzylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)phenyl benzylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)phenyl benzylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.