S-isopropyl 2-chlorophenylthiocarbamate
TL;DR: S-isopropyl 2-chlorophenylthiocarbamate (CAS 10129-32-5) 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-propan-2-yl N-(2-chlorophenyl)carbamothioate
Also Known As: S-isopropyl 2-chlorophenylthiocarbamate, S-isopropyl n-(2-chlorophenyl)thiolcarbamate, S-propan-2-yl N-(2-chlorophenyl)carbamothioate, N-(2-chlorophenyl)(propan-2-ylsulfanyl)formamide, N-(2-chlorophenyl)-1-propan-2-ylsulfanyl-formamide
| Molecular Formula | C10H12ClNOS |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 4.0135 |
| Topological Polar Surface Area | 29.1 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 | 10129-32-5 |
|---|---|
| SMILES | CC(C)SC(=O)NC1=CC=CC=C1Cl |
Product Overview
S-isopropyl 2-chlorophenylthiocarbamate (CAS 10129-32-5), with molecular formula C10H12ClNOS and molecular weight 229.03 g/mol. IUPAC: S-propan-2-yl N-(2-chlorophenyl)carbamothioate.
Chemical Property Profile of S-isopropyl 2-chlorophenylthiocarbamate
Property Insights of S-isopropyl 2-chlorophenylthiocarbamate
The XLogP value of 4.0135 indicates that S-isopropyl 2-chlorophenylthiocarbamate 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-isopropyl 2-chlorophenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-isopropyl 2-chlorophenylthiocarbamate 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-isopropyl 2-chlorophenylthiocarbamate?
The CAS number of S-isopropyl 2-chlorophenylthiocarbamate is 10129-32-5.
What is the molecular formula of S-isopropyl 2-chlorophenylthiocarbamate?
The molecular formula of S-isopropyl 2-chlorophenylthiocarbamate is C10H12ClNOS.
What is the molecular weight of S-isopropyl 2-chlorophenylthiocarbamate?
The molecular weight of S-isopropyl 2-chlorophenylthiocarbamate is 229.03 g/mol.
Where can I buy S-isopropyl 2-chlorophenylthiocarbamate?
You can request a quote for S-isopropyl 2-chlorophenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-isopropyl 2-chlorophenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-isopropyl 2-chlorophenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.