S-(4-Chlorophenyl) N-tert-butylthiocarbamate
TL;DR: S-(4-Chlorophenyl) N-tert-butylthiocarbamate (CAS 197170-05-1) is a chemical compound with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) N-tert-butylcarbamothioate
Also Known As: S-(4-Chlorophenyl) tert-butylcarbamothioate, S-(4-chlorophenyl) N-tert-butylcarbamothioate, 1-(4-chlorophenyl)sulfanyl-N-tert-butyl-formamide, S-(4-CHLOROPHENYL) N-TERT-BUTYLTHIOCARBAMATE
| Molecular Formula | C11H14ClNOS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 3.9402 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.04846 |
| Heavy Atoms | 15 |
| Complexity | 342.6007 |
Chemical Identifiers
| CAS Number | 197170-05-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)SC1=CC=C(C=C1)Cl |
Product Overview
S-(4-Chlorophenyl) N-tert-butylthiocarbamate (CAS 197170-05-1), with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol. IUPAC: S-(4-chlorophenyl) N-tert-butylcarbamothioate.
Chemical Property Profile of S-(4-Chlorophenyl) N-tert-butylthiocarbamate
Property Insights of S-(4-Chlorophenyl) N-tert-butylthiocarbamate
The XLogP value of 3.9402 indicates that S-(4-Chlorophenyl) N-tert-butylthiocarbamate 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-(4-Chlorophenyl) N-tert-butylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) N-tert-butylthiocarbamate 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-(4-Chlorophenyl) N-tert-butylthiocarbamate?
The CAS number of S-(4-Chlorophenyl) N-tert-butylthiocarbamate is 197170-05-1.
What is the molecular formula of S-(4-Chlorophenyl) N-tert-butylthiocarbamate?
The molecular formula of S-(4-Chlorophenyl) N-tert-butylthiocarbamate is C11H14ClNOS.
What is the molecular weight of S-(4-Chlorophenyl) N-tert-butylthiocarbamate?
The molecular weight of S-(4-Chlorophenyl) N-tert-butylthiocarbamate is 243.05 g/mol.
Where can I buy S-(4-Chlorophenyl) N-tert-butylthiocarbamate?
You can request a quote for S-(4-Chlorophenyl) N-tert-butylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorophenyl) N-tert-butylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) N-tert-butylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.