O-methyl N-(2-chlorophenyl)carbamothioate
TL;DR: O-methyl N-(2-chlorophenyl)carbamothioate (CAS 20399-40-0) is a chemical compound with molecular formula C8H8ClNOS and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-(2-chlorophenyl)carbamothioate
Also Known As: Maybridge3_006686, methyl (2-chloroanilino)methanethioate, O-methyl N-(2-chlorophenyl)carbamothioate, N-(2-chlorophenyl)methoxycarbothioamide, IDI1_018073
| Molecular Formula | C8H8ClNOS |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | 2.6832 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.00151 |
| Heavy Atoms | 12 |
| Complexity | 290.14127 |
Chemical Identifiers
| CAS Number | 20399-40-0 |
|---|---|
| SMILES | COC(=S)NC1=CC=CC=C1Cl |
Product Overview
O-methyl N-(2-chlorophenyl)carbamothioate (CAS 20399-40-0), with molecular formula C8H8ClNOS and molecular weight 201.00 g/mol. IUPAC: O-methyl N-(2-chlorophenyl)carbamothioate.
Chemical Property Profile of O-methyl N-(2-chlorophenyl)carbamothioate
Property Insights of O-methyl N-(2-chlorophenyl)carbamothioate
The XLogP value of 2.6832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl N-(2-chlorophenyl)carbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-methyl N-(2-chlorophenyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl N-(2-chlorophenyl)carbamothioate 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 O-methyl N-(2-chlorophenyl)carbamothioate?
The CAS number of O-methyl N-(2-chlorophenyl)carbamothioate is 20399-40-0.
What is the molecular formula of O-methyl N-(2-chlorophenyl)carbamothioate?
The molecular formula of O-methyl N-(2-chlorophenyl)carbamothioate is C8H8ClNOS.
What is the molecular weight of O-methyl N-(2-chlorophenyl)carbamothioate?
The molecular weight of O-methyl N-(2-chlorophenyl)carbamothioate is 201.00 g/mol.
Where can I buy O-methyl N-(2-chlorophenyl)carbamothioate?
You can request a quote for O-methyl N-(2-chlorophenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl N-(2-chlorophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl N-(2-chlorophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.