Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester
TL;DR: Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester (CAS 103346-08-3) is a chemical compound with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(2-chlorophenyl)methyl] N-ethenyl-N-ethylcarbamothioate
Also Known As: s-(2-chlorobenzyl) ethenyl(ethyl)carbamothioate, Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester, S-[(2-Chlorophenyl)methyl] ethenyl(ethyl)carbamothioate, S-[(2-chlorophenyl)methyl] N-ethenyl-N-ethylcarbamothioate, 1-[(2-chlorophenyl)methylsulfanyl]-N-ethenyl-N-ethyl-formamide
| Molecular Formula | C12H14ClNOS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.04846 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 103346-08-3 |
|---|---|
| SMILES | CCN(C=C)C(=O)SCC1=CC=CC=C1Cl |
| InChIKey | BWNMVGJFVMAWPF-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester (CAS 103346-08-3), with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol. IUPAC: S-[(2-chlorophenyl)methyl] N-ethenyl-N-ethylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester
Property Insights of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester
The XLogP value of 3.6 indicates that Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester has 0 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 Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester?
The CAS number of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester is 103346-08-3.
What is the molecular formula of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester?
The molecular formula of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester is C12H14ClNOS.
What is the molecular weight of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester?
The molecular weight of Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester is 255.05 g/mol.
Where can I buy Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester?
You can request a quote for Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, ethenylethyl-,S-((2-chlorophenyl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.