Benzamidocarbamodithioic acid
TL;DR: Benzamidocarbamodithioic acid (CAS 38539-87-6) is a chemical compound with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzamidocarbamodithioic acid
Also Known As: benzamidocarbamodithioic acid, 3-benzoyldithiocarbazic acid, NCIOpen2_004655, 2-benzoylhydrazinecarbodithioate, potassium 3-benzoylditiocarbazate
| Molecular Formula | C8H8N2OS2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.1357 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00781 |
| Heavy Atoms | 13 |
| Complexity | 313.17987 |
Chemical Identifiers
| CAS Number | 38539-87-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NNC(=S)S |
Product Overview
Benzamidocarbamodithioic acid (CAS 38539-87-6), with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol. IUPAC: benzamidocarbamodithioic acid.
Chemical Property Profile of Benzamidocarbamodithioic acid
Property Insights of Benzamidocarbamodithioic acid
The XLogP value of 1.1357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamidocarbamodithioic acid. With a topological polar surface area (TPSA) of 41.13 Ų, Benzamidocarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamidocarbamodithioic acid has 3 hydrogen bond donor(s) and 2 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 Benzamidocarbamodithioic acid?
The CAS number of Benzamidocarbamodithioic acid is 38539-87-6.
What is the molecular formula of Benzamidocarbamodithioic acid?
The molecular formula of Benzamidocarbamodithioic acid is C8H8N2OS2.
What is the molecular weight of Benzamidocarbamodithioic acid?
The molecular weight of Benzamidocarbamodithioic acid is 212.01 g/mol.
Where can I buy Benzamidocarbamodithioic acid?
You can request a quote for Benzamidocarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamidocarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzamidocarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.