N-(2-methylphenyl)(methylsulfanyl)carbothioamide
TL;DR: N-(2-methylphenyl)(methylsulfanyl)carbothioamide (CAS 17425-17-1) 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.
methyl N-(2-methylphenyl)carbamodithioate
Also Known As: N-(2-methylphenyl)(methylsulfanyl)carbothioamide, Methyl (2-methylphenyl)carbamodithioate, methyl N-(2-methylphenyl)carbamodithioate, N-(2-methylphenyl) methyl dithiocarbamic acid, [(2-methylphenyl)amino]methylthiomethane-1-thione
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 3.05482 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 17425-17-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)SC |
Product Overview
N-(2-methylphenyl)(methylsulfanyl)carbothioamide (CAS 17425-17-1), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: methyl N-(2-methylphenyl)carbamodithioate.
Chemical Property Profile of N-(2-methylphenyl)(methylsulfanyl)carbothioamide
Property Insights of N-(2-methylphenyl)(methylsulfanyl)carbothioamide
The XLogP value of 3.05482 indicates that N-(2-methylphenyl)(methylsulfanyl)carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(2-methylphenyl)(methylsulfanyl)carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylphenyl)(methylsulfanyl)carbothioamide 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-(2-methylphenyl)(methylsulfanyl)carbothioamide?
The CAS number of N-(2-methylphenyl)(methylsulfanyl)carbothioamide is 17425-17-1.
What is the molecular formula of N-(2-methylphenyl)(methylsulfanyl)carbothioamide?
The molecular formula of N-(2-methylphenyl)(methylsulfanyl)carbothioamide is C9H11NS2.
What is the molecular weight of N-(2-methylphenyl)(methylsulfanyl)carbothioamide?
The molecular weight of N-(2-methylphenyl)(methylsulfanyl)carbothioamide is 197.03 g/mol.
Where can I buy N-(2-methylphenyl)(methylsulfanyl)carbothioamide?
You can request a quote for N-(2-methylphenyl)(methylsulfanyl)carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylphenyl)(methylsulfanyl)carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylphenyl)(methylsulfanyl)carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.