Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester
TL;DR: Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester (CAS 22039-90-3) is a chemical compound with molecular formula C9H9Cl2NOS and molecular weight 248.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate
Also Known As: 2-Chloroethylthiocarbamic acid, S-p-chlorophenyl ester, (2-Chloroethyl)-thiocarbamic acid p-chlorophenyl ester, S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate, CARBAMIC ACID, (2-CHLOROETHYL)THIO-, S-p-CHLOROPHENYL ESTER, S-(4-chlorophenyl) (2-chloroethyl)carbamothioate
| Molecular Formula | C9H9Cl2NOS |
|---|---|
| Molecular Weight | 248.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.9782 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 22039-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1SC(=O)NCCCl)Cl |
| InChIKey | KHKHBGRLFYDZKL-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester (CAS 22039-90-3), with molecular formula C9H9Cl2NOS and molecular weight 248.98 g/mol. IUPAC: S-(4-chlorophenyl) N-(2-chloroethyl)carbamothioate.
Chemical Property Profile of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester
Property Insights of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester
The XLogP value of 3.3 indicates that Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester 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 Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester?
The CAS number of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester is 22039-90-3.
What is the molecular formula of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester?
The molecular formula of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester is C9H9Cl2NOS.
What is the molecular weight of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester?
The molecular weight of Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester is 248.98 g/mol.
Where can I buy Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester?
You can request a quote for Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-chloroethyl)thio-, S-p-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.