(4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate
TL;DR: (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate (CAS 20975-61-5) is a chemical compound with molecular formula C15H13BrClNS2 and molecular weight 384.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-(4-bromo-3-methylphenyl)carbamodithioate
Also Known As: Carbamodithioic acid, (4-chlorophenyl)methyl ester, (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate, (4-chlorophenyl)methyl N-(4-bromo-3-methylphenyl)carbamodithioate
| Molecular Formula | C15H13BrClNS2 |
|---|---|
| Molecular Weight | 384.94 g/mol |
| LogP | 6.04112 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.93613 |
| Heavy Atoms | 20 |
| Complexity | 613.7706 |
Chemical Identifiers
| CAS Number | 20975-61-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=S)SCC2=CC=C(C=C2)Cl)Br |
Product Overview
(4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate (CAS 20975-61-5), with molecular formula C15H13BrClNS2 and molecular weight 384.94 g/mol. IUPAC: (4-chlorophenyl)methyl N-(4-bromo-3-methylphenyl)carbamodithioate.
Chemical Property Profile of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate
Property Insights of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate
The XLogP value of 6.04112 indicates that (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate?
The CAS number of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate is 20975-61-5.
What is the molecular formula of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate?
The molecular formula of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate is C15H13BrClNS2.
What is the molecular weight of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate?
The molecular weight of (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate is 384.94 g/mol.
Where can I buy (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate?
You can request a quote for (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl (4-bromo-3-methylphenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.