Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester
TL;DR: Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester (CAS 6964-37-0) is a chemical compound with molecular formula C9H7Cl2NO2S and molecular weight 262.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-(3,4-dichlorobenzoyl)carbamothioate
Also Known As: NCIOpen2_003026, N- carbamothioicacidO-methylester, Methyl N-(3,4-dichlorobenzoyl)thiocarbamate, O-Methyl (3,4-dichlorobenzoyl)carbamothioate, CARBAMIC ACID, (3,4-DICHLOROBENZOYL)THIO-, o-METHYL ESTER
| Molecular Formula | C9H7Cl2NO2S |
|---|---|
| Molecular Weight | 262.96 g/mol |
| LogP | 2.6545 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.95746 |
| Heavy Atoms | 15 |
| Complexity | 409.09885 |
Chemical Identifiers
| CAS Number | 6964-37-0 |
|---|---|
| SMILES | COC(=S)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
Product Overview
Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester (CAS 6964-37-0), with molecular formula C9H7Cl2NO2S and molecular weight 262.96 g/mol. IUPAC: O-methyl N-(3,4-dichlorobenzoyl)carbamothioate.
Chemical Property Profile of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester
Property Insights of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester
The XLogP value of 2.6545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester has 1 hydrogen bond donor(s) and 3 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, (3,4-dichlorobenzoyl)thio-, O-methyl ester?
The CAS number of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester is 6964-37-0.
What is the molecular formula of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester?
The molecular formula of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester is C9H7Cl2NO2S.
What is the molecular weight of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester?
The molecular weight of Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester is 262.96 g/mol.
Where can I buy Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester?
You can request a quote for Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl 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, (3,4-dichlorobenzoyl)thio-, O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3,4-dichlorobenzoyl)thio-, O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.