Methyl N-phenylcarbamodithioate
TL;DR: Methyl N-phenylcarbamodithioate (CAS 701-73-5) 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 N-phenylcarbamodithioate
Also Known As: Methyl dithiocarbanilate, Methyl phenyldithiocarbamate, Methyl N-phenyldithiocarbamate, Methyl phenylcarbamodithioate, methyl N-phenylcarbamodithioate
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.7464 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 233.1072 |
Chemical Identifiers
| CAS Number | 701-73-5 |
|---|---|
| SMILES | CSC(=S)NC1=CC=CC=C1 |
Product Overview
Methyl N-phenylcarbamodithioate (CAS 701-73-5), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: methyl N-phenylcarbamodithioate.
Chemical Property Profile of Methyl N-phenylcarbamodithioate
Property Insights of Methyl N-phenylcarbamodithioate
The XLogP value of 2.7464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-phenylcarbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, Methyl N-phenylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-phenylcarbamodithioate 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 Methyl N-phenylcarbamodithioate?
The CAS number of Methyl N-phenylcarbamodithioate is 701-73-5.
What is the molecular formula of Methyl N-phenylcarbamodithioate?
The molecular formula of Methyl N-phenylcarbamodithioate is C8H9NS2.
What is the molecular weight of Methyl N-phenylcarbamodithioate?
The molecular weight of Methyl N-phenylcarbamodithioate is 183.02 g/mol.
Where can I buy Methyl N-phenylcarbamodithioate?
You can request a quote for Methyl N-phenylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-phenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-phenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.