(4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate
TL;DR: (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate (CAS 69243-61-4) is a chemical compound with molecular formula C14H10Cl2N2O2S2 and molecular weight 371.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-(3,4-dichlorophenyl)carbamodithioate
Also Known As: (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate, (4-nitrophenyl)methyl N-(3,4-dichlorophenyl)carbamodithioate
| Molecular Formula | C14H10Cl2N2O2S2 |
|---|---|
| Molecular Weight | 371.96 g/mol |
| LogP | 5.5318 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.9561 |
| Heavy Atoms | 22 |
| Complexity | 708.4891 |
Chemical Identifiers
| CAS Number | 69243-61-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=S)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate (CAS 69243-61-4), with molecular formula C14H10Cl2N2O2S2 and molecular weight 371.96 g/mol. IUPAC: (4-nitrophenyl)methyl N-(3,4-dichlorophenyl)carbamodithioate.
Chemical Property Profile of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate
Property Insights of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate
The XLogP value of 5.5318 indicates that (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate?
The CAS number of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate is 69243-61-4.
What is the molecular formula of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate?
The molecular formula of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate is C14H10Cl2N2O2S2.
What is the molecular weight of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate?
The molecular weight of (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate is 371.96 g/mol.
Where can I buy (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate?
You can request a quote for (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl (3,4-dichlorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.