Dibenzoyl ethane-1,2-diylbiscarbamodithioate
TL;DR: Dibenzoyl ethane-1,2-diylbiscarbamodithioate (CAS 1933-49-9) is a chemical compound with molecular formula C18H16N2O2S4 and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(benzoylsulfanylcarbothioylamino)ethylcarbamothioyl] benzenecarbothioate
Also Known As: Dibenzoyl ethane-1,2-diylbiscarbamodithioate, S-[2-(benzoylsulfanylcarbothioylamino)ethylcarbamothioyl] benzenecarbothioate, 1-benzoylsulfanyl-N-[2-(benzoylsulfanylcarbothioylamino)ethyl]methanethioamide
| Molecular Formula | C18H16N2O2S4 |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 3.8826 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.00946 |
| Heavy Atoms | 26 |
| Complexity | 714.7928 |
Chemical Identifiers
| CAS Number | 1933-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC(=S)NCCNC(=S)SC(=O)C2=CC=CC=C2 |
Product Overview
Dibenzoyl ethane-1,2-diylbiscarbamodithioate (CAS 1933-49-9), with molecular formula C18H16N2O2S4 and molecular weight 420.01 g/mol. IUPAC: S-[2-(benzoylsulfanylcarbothioylamino)ethylcarbamothioyl] benzenecarbothioate.
Chemical Property Profile of Dibenzoyl ethane-1,2-diylbiscarbamodithioate
Property Insights of Dibenzoyl ethane-1,2-diylbiscarbamodithioate
The XLogP value of 3.8826 indicates that Dibenzoyl ethane-1,2-diylbiscarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, Dibenzoyl ethane-1,2-diylbiscarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzoyl ethane-1,2-diylbiscarbamodithioate has 2 hydrogen bond donor(s) and 6 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 Dibenzoyl ethane-1,2-diylbiscarbamodithioate?
The CAS number of Dibenzoyl ethane-1,2-diylbiscarbamodithioate is 1933-49-9.
What is the molecular formula of Dibenzoyl ethane-1,2-diylbiscarbamodithioate?
The molecular formula of Dibenzoyl ethane-1,2-diylbiscarbamodithioate is C18H16N2O2S4.
What is the molecular weight of Dibenzoyl ethane-1,2-diylbiscarbamodithioate?
The molecular weight of Dibenzoyl ethane-1,2-diylbiscarbamodithioate is 420.01 g/mol.
Where can I buy Dibenzoyl ethane-1,2-diylbiscarbamodithioate?
You can request a quote for Dibenzoyl ethane-1,2-diylbiscarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzoyl ethane-1,2-diylbiscarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzoyl ethane-1,2-diylbiscarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.