methyl N-(4-methylphenyl)carbamodithioate
TL;DR: methyl N-(4-methylphenyl)carbamodithioate (CAS 13037-22-4) 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.
methyl N-(4-methylphenyl)carbamodithioate
Also Known As: methyl N-(4-methylphenyl)carbamodithioate, N-(4-methylphenyl)(methylsulfanyl)carbothioamide, 4-Methylphenyldithiocarbamic acid methyl ester, (4-Methylphenyl)dithiocarbamic acid methyl ester, [(4-methylphenyl)amino]methylthiomethane-1-thione
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 13037-22-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)SC |
| InChIKey | REZSHMNTHXMXJM-UHFFFAOYSA-N |
Product Overview
methyl N-(4-methylphenyl)carbamodithioate (CAS 13037-22-4), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: methyl N-(4-methylphenyl)carbamodithioate.
Chemical Property Profile of methyl N-(4-methylphenyl)carbamodithioate
Property Insights of methyl N-(4-methylphenyl)carbamodithioate
The XLogP value of 3.0 indicates that methyl N-(4-methylphenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(4-methylphenyl)carbamodithioate. Following Lipinski's Rule of Five, methyl N-(4-methylphenyl)carbamodithioate 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-(4-methylphenyl)carbamodithioate?
The CAS number of methyl N-(4-methylphenyl)carbamodithioate is 13037-22-4.
What is the molecular formula of methyl N-(4-methylphenyl)carbamodithioate?
The molecular formula of methyl N-(4-methylphenyl)carbamodithioate is C9H11NS2.
What is the molecular weight of methyl N-(4-methylphenyl)carbamodithioate?
The molecular weight of methyl N-(4-methylphenyl)carbamodithioate is 197.03 g/mol.
Where can I buy methyl N-(4-methylphenyl)carbamodithioate?
You can request a quote for methyl N-(4-methylphenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-methylphenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-methylphenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.