p-Benzenedicarbamic acid, tetrathio-, dimethyl ester
TL;DR: p-Benzenedicarbamic acid, tetrathio-, dimethyl ester (CAS 19972-69-1) is a chemical compound with molecular formula C10H12N2S4 and molecular weight 287.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-(methylsulfanylcarbothioylamino)phenyl]carbamodithioate
Also Known As: Tetrathio-p-benzenedicarbamic acid dimethyl ester, p-Benzenedicarbamic acid, tetrathio-, dimethyl ester, Dimethyl 1,4-phenylenedicarbamodithioate, Dimethyl 1,4-phenylenebiscarbamodithioate, (1,4-Phenylene)bis(imino)bis(dithioformic acid methyl) ester
| Molecular Formula | C10H12N2S4 |
|---|---|
| Molecular Weight | 287.99 g/mol |
| LogP | 3.8062 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.98834 |
| Heavy Atoms | 16 |
| Complexity | 337.91034 |
Chemical Identifiers
| CAS Number | 19972-69-1 |
|---|---|
| SMILES | CSC(=S)NC1=CC=C(C=C1)NC(=S)SC |
Product Overview
p-Benzenedicarbamic acid, tetrathio-, dimethyl ester (CAS 19972-69-1), with molecular formula C10H12N2S4 and molecular weight 287.99 g/mol. IUPAC: methyl N-[4-(methylsulfanylcarbothioylamino)phenyl]carbamodithioate.
Chemical Property Profile of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester
Property Insights of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester
The XLogP value of 3.8062 indicates that p-Benzenedicarbamic acid, tetrathio-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, p-Benzenedicarbamic acid, tetrathio-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Benzenedicarbamic acid, tetrathio-, dimethyl ester has 2 hydrogen bond donor(s) and 4 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 p-Benzenedicarbamic acid, tetrathio-, dimethyl ester?
The CAS number of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester is 19972-69-1.
What is the molecular formula of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester?
The molecular formula of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester is C10H12N2S4.
What is the molecular weight of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester?
The molecular weight of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester is 287.99 g/mol.
Where can I buy p-Benzenedicarbamic acid, tetrathio-, dimethyl ester?
You can request a quote for p-Benzenedicarbamic acid, tetrathio-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzenedicarbamic acid, tetrathio-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Benzenedicarbamic acid, tetrathio-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.