Benzyl(methyl)carbamodithioic acid
TL;DR: Benzyl(methyl)carbamodithioic acid (CAS 57802-74-1) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(methyl)carbamodithioic acid
Also Known As: benzyl(methyl)carbamodithioic acid, Methylbenzyldithiocarbamic acid, N-methyl-N-benzyldithiocarbamic acid, 3p58, NCI60_004289
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 57802-74-1 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=S)S |
| InChIKey | KVRJHAJGPHILSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl(methyl)carbamodithioic acid (CAS 57802-74-1), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: benzyl(methyl)carbamodithioic acid.
Chemical Property Profile of Benzyl(methyl)carbamodithioic acid
Property Insights of Benzyl(methyl)carbamodithioic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl(methyl)carbamodithioic acid. With a topological polar surface area (TPSA) of 36.3 Ų, Benzyl(methyl)carbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl(methyl)carbamodithioic acid has 1 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 Benzyl(methyl)carbamodithioic acid?
The CAS number of Benzyl(methyl)carbamodithioic acid is 57802-74-1.
What is the molecular formula of Benzyl(methyl)carbamodithioic acid?
The molecular formula of Benzyl(methyl)carbamodithioic acid is C9H11NS2.
What is the molecular weight of Benzyl(methyl)carbamodithioic acid?
The molecular weight of Benzyl(methyl)carbamodithioic acid is 197.03 g/mol.
Where can I buy Benzyl(methyl)carbamodithioic acid?
You can request a quote for Benzyl(methyl)carbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(methyl)carbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(methyl)carbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.