O-propan-2-yl N-(3-chlorophenyl)carbamothioate
TL;DR: O-propan-2-yl N-(3-chlorophenyl)carbamothioate (CAS 20399-33-1) is a chemical compound with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl N-(3-chlorophenyl)carbamothioate
Also Known As: Maybridge4_003176, O-propan-2-yl N-(3-chlorophenyl)carbamothioate, N-(3-chlorophenyl)thiocarbamic acid O-(1-methylethyl)ester
| Molecular Formula | C10H12ClNOS |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 3.4618 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0328 |
| Heavy Atoms | 14 |
| Complexity | 327.65295 |
Chemical Identifiers
| CAS Number | 20399-33-1 |
|---|---|
| SMILES | CC(C)OC(=S)NC1=CC(=CC=C1)Cl |
Product Overview
O-propan-2-yl N-(3-chlorophenyl)carbamothioate (CAS 20399-33-1), with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol. IUPAC: O-propan-2-yl N-(3-chlorophenyl)carbamothioate.
Chemical Property Profile of O-propan-2-yl N-(3-chlorophenyl)carbamothioate
Property Insights of O-propan-2-yl N-(3-chlorophenyl)carbamothioate
The XLogP value of 3.4618 indicates that O-propan-2-yl N-(3-chlorophenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-propan-2-yl N-(3-chlorophenyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-propan-2-yl N-(3-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-propan-2-yl N-(3-chlorophenyl)carbamothioate?
The CAS number of O-propan-2-yl N-(3-chlorophenyl)carbamothioate is 20399-33-1.
What is the molecular formula of O-propan-2-yl N-(3-chlorophenyl)carbamothioate?
The molecular formula of O-propan-2-yl N-(3-chlorophenyl)carbamothioate is C10H12ClNOS.
What is the molecular weight of O-propan-2-yl N-(3-chlorophenyl)carbamothioate?
The molecular weight of O-propan-2-yl N-(3-chlorophenyl)carbamothioate is 229.03 g/mol.
Where can I buy O-propan-2-yl N-(3-chlorophenyl)carbamothioate?
You can request a quote for O-propan-2-yl N-(3-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-propan-2-yl N-(3-chlorophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-propan-2-yl N-(3-chlorophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.