N-Methyl-N-phenylcarbamodithioic acid
TL;DR: N-Methyl-N-phenylcarbamodithioic acid (CAS 37600-51-4) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl(phenyl)carbamodithioic acid
Also Known As: Methylphenyldithiocarbamic acid, methyl-phenyl-dithiocarbamic acid, methyl(phenyl)carbamodithioic acid, N-methyl-N-phenyldithiocarbamic acid, N-Methyl-N-phenylcarbamodithioic acid
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 37600-51-4 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)S |
| InChIKey | XFOAZOPAGIZIHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-N-phenylcarbamodithioic acid (CAS 37600-51-4), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: methyl(phenyl)carbamodithioic acid.
Chemical Property Profile of N-Methyl-N-phenylcarbamodithioic acid
Property Insights of N-Methyl-N-phenylcarbamodithioic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-phenylcarbamodithioic acid. With a topological polar surface area (TPSA) of 36.3 Ų, N-Methyl-N-phenylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-phenylcarbamodithioic 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 N-Methyl-N-phenylcarbamodithioic acid?
The CAS number of N-Methyl-N-phenylcarbamodithioic acid is 37600-51-4.
What is the molecular formula of N-Methyl-N-phenylcarbamodithioic acid?
The molecular formula of N-Methyl-N-phenylcarbamodithioic acid is C8H9NS2.
What is the molecular weight of N-Methyl-N-phenylcarbamodithioic acid?
The molecular weight of N-Methyl-N-phenylcarbamodithioic acid is 183.02 g/mol.
Where can I buy N-Methyl-N-phenylcarbamodithioic acid?
You can request a quote for N-Methyl-N-phenylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-phenylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-phenylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.