S-Propyl N-(3-chlorophenyl)carbamothioate
TL;DR: S-Propyl N-(3-chlorophenyl)carbamothioate (CAS 777-55-9) 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.
S-propyl N-(3-chlorophenyl)carbamothioate
Also Known As: S-propyl N-(3-chlorophenyl)carbamothioate, S-propyl 3-chlorophenylthiocarbamate, S-Propyl (3-chlorophenyl)carbamothioate, S-propyl n-(3-chlorophenyl)thiolcarbamate, N-(3-chlorophenyl)(propylsulfanyl)formamide
| Molecular Formula | C10H12ClNOS |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 4.0151 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0328 |
| Heavy Atoms | 14 |
| Complexity | 316.74524 |
Chemical Identifiers
| CAS Number | 777-55-9 |
|---|---|
| SMILES | CCCSC(=O)NC1=CC(=CC=C1)Cl |
Product Overview
S-Propyl N-(3-chlorophenyl)carbamothioate (CAS 777-55-9), with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol. IUPAC: S-propyl N-(3-chlorophenyl)carbamothioate.
Chemical Property Profile of S-Propyl N-(3-chlorophenyl)carbamothioate
Property Insights of S-Propyl N-(3-chlorophenyl)carbamothioate
The XLogP value of 4.0151 indicates that S-Propyl 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 29.1 Ų, S-Propyl N-(3-chlorophenyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Propyl 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 S-Propyl N-(3-chlorophenyl)carbamothioate?
The CAS number of S-Propyl N-(3-chlorophenyl)carbamothioate is 777-55-9.
What is the molecular formula of S-Propyl N-(3-chlorophenyl)carbamothioate?
The molecular formula of S-Propyl N-(3-chlorophenyl)carbamothioate is C10H12ClNOS.
What is the molecular weight of S-Propyl N-(3-chlorophenyl)carbamothioate?
The molecular weight of S-Propyl N-(3-chlorophenyl)carbamothioate is 229.03 g/mol.
Where can I buy S-Propyl N-(3-chlorophenyl)carbamothioate?
You can request a quote for S-Propyl 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 S-Propyl N-(3-chlorophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Propyl N-(3-chlorophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.