(4-bromophenyl)methyl N-phenylcarbamodithioate
TL;DR: (4-bromophenyl)methyl N-phenylcarbamodithioate (CAS 2257-27-4) is a chemical compound with molecular formula C14H12BrNS2 and molecular weight 336.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl N-phenylcarbamodithioate
Also Known As: (4-bromophenyl)methyl N-phenylcarbamodithioate, (4-Bromophenyl)methyl phenylcarbamodithioate
| Molecular Formula | C14H12BrNS2 |
|---|---|
| Molecular Weight | 336.96 g/mol |
| LogP | 5.0793 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.95944 |
| Heavy Atoms | 18 |
| Complexity | 511.07703 |
Chemical Identifiers
| CAS Number | 2257-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)SCC2=CC=C(C=C2)Br |
Product Overview
(4-bromophenyl)methyl N-phenylcarbamodithioate (CAS 2257-27-4), with molecular formula C14H12BrNS2 and molecular weight 336.96 g/mol. IUPAC: (4-bromophenyl)methyl N-phenylcarbamodithioate.
Chemical Property Profile of (4-bromophenyl)methyl N-phenylcarbamodithioate
Property Insights of (4-bromophenyl)methyl N-phenylcarbamodithioate
The XLogP value of 5.0793 indicates that (4-bromophenyl)methyl N-phenylcarbamodithioate 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-bromophenyl)methyl N-phenylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-bromophenyl)methyl N-phenylcarbamodithioate 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-bromophenyl)methyl N-phenylcarbamodithioate?
The CAS number of (4-bromophenyl)methyl N-phenylcarbamodithioate is 2257-27-4.
What is the molecular formula of (4-bromophenyl)methyl N-phenylcarbamodithioate?
The molecular formula of (4-bromophenyl)methyl N-phenylcarbamodithioate is C14H12BrNS2.
What is the molecular weight of (4-bromophenyl)methyl N-phenylcarbamodithioate?
The molecular weight of (4-bromophenyl)methyl N-phenylcarbamodithioate is 336.96 g/mol.
Where can I buy (4-bromophenyl)methyl N-phenylcarbamodithioate?
You can request a quote for (4-bromophenyl)methyl N-phenylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromophenyl)methyl N-phenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-bromophenyl)methyl N-phenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.