((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester
TL;DR: ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester (CAS 56181-03-4) is a chemical compound with molecular formula C16H15ClN2O3S2 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate
Also Known As: ((4-CHLORO-BENZENESULFONYLIMINO)-PHENYL-METHYL)-THIOCARBAMIC ACID O-ETHYL ESTER, O-ethyl [{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]thiocarbamate, O-ethyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate, 651-347-5
| Molecular Formula | C16H15ClN2O3S2 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 3.3865 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.02127 |
| Heavy Atoms | 24 |
| Complexity | 835.38605 |
Chemical Identifiers
| CAS Number | 56181-03-4 |
|---|---|
| SMILES | CCOC(=S)N/C(=N/S(=O)(=O)C1=CC=C(C=C1)Cl)/C2=CC=CC=C2 |
Product Overview
((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester (CAS 56181-03-4), with molecular formula C16H15ClN2O3S2 and molecular weight 382.02 g/mol. IUPAC: O-ethyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate.
Chemical Property Profile of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester
Property Insights of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester
The XLogP value of 3.3865 indicates that ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester. Following Lipinski's Rule of Five, ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester has 1 hydrogen bond donor(s) and 4 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 ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester?
The CAS number of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester is 56181-03-4.
What is the molecular formula of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester?
The molecular formula of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester is C16H15ClN2O3S2.
What is the molecular weight of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester?
The molecular weight of ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester is 382.02 g/mol.
Where can I buy ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester?
You can request a quote for ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for ((4-Chloro-benzenesulfonylimino)-phenyl-methyl)-thiocarbamic acid O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.