(4-Bromophenyl)carbamodithioic acid
TL;DR: (4-Bromophenyl)carbamodithioic acid (CAS 15964-00-8) is a chemical compound with molecular formula C7H6BrNS2 and molecular weight 246.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)carbamodithioic acid
Also Known As: (4-Bromophenyl)dithiocarbamic acid, (4-bromophenyl)carbamodithioic acid, (4-bromo-phenyl)-dithiocarbamic acid, [(4-bromophenyl)amino]methanedithioic acid, J2.849.460B
| Molecular Formula | C7H6BrNS2 |
|---|---|
| Molecular Weight | 246.91 g/mol |
| LogP | 3.0757 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.9125 |
| Heavy Atoms | 11 |
| Complexity | 257.648 |
Chemical Identifiers
| CAS Number | 15964-00-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)S)Br |
Product Overview
(4-Bromophenyl)carbamodithioic acid (CAS 15964-00-8), with molecular formula C7H6BrNS2 and molecular weight 246.91 g/mol. IUPAC: (4-bromophenyl)carbamodithioic acid.
Chemical Property Profile of (4-Bromophenyl)carbamodithioic acid
Property Insights of (4-Bromophenyl)carbamodithioic acid
The XLogP value of 3.0757 indicates that (4-Bromophenyl)carbamodithioic acid 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)carbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl)carbamodithioic acid has 2 hydrogen bond donor(s) and 1 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-Bromophenyl)carbamodithioic acid?
The CAS number of (4-Bromophenyl)carbamodithioic acid is 15964-00-8.
What is the molecular formula of (4-Bromophenyl)carbamodithioic acid?
The molecular formula of (4-Bromophenyl)carbamodithioic acid is C7H6BrNS2.
What is the molecular weight of (4-Bromophenyl)carbamodithioic acid?
The molecular weight of (4-Bromophenyl)carbamodithioic acid is 246.91 g/mol.
Where can I buy (4-Bromophenyl)carbamodithioic acid?
You can request a quote for (4-Bromophenyl)carbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)carbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)carbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.