S-isopropyl 3-chloro-4-methylphenylthiocarbamate
TL;DR: S-isopropyl 3-chloro-4-methylphenylthiocarbamate (CAS 105907-35-5) 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-propan-2-yl N-(3-chloro-4-methylphenyl)carbamothioate
Also Known As: S-isopropyl 3-chloro-4-methylphenylthiocarbamate, s-isopropyl n-(3-chloro-4-methylphenyl)thiolcarbamate, S-propan-2-yl N-(3-chloro-4-methylphenyl)carbamothioate, N-(3-chloro-4-methylphenyl)(propan-2-ylsulfanyl)formamide, N-(3-chloro-4-methyl-phenyl)-1-propan-2-ylsulfanyl-formamide
| Molecular Formula | C11H14ClNOS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 4.32192 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.04846 |
| Heavy Atoms | 15 |
| Complexity | 365.6056 |
Chemical Identifiers
| CAS Number | 105907-35-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)SC(C)C)Cl |
Product Overview
S-isopropyl 3-chloro-4-methylphenylthiocarbamate (CAS 105907-35-5), with molecular formula C11H14ClNOS and molecular weight 243.05 g/mol. IUPAC: S-propan-2-yl N-(3-chloro-4-methylphenyl)carbamothioate.
Chemical Property Profile of S-isopropyl 3-chloro-4-methylphenylthiocarbamate
Property Insights of S-isopropyl 3-chloro-4-methylphenylthiocarbamate
The XLogP value of 4.32192 indicates that S-isopropyl 3-chloro-4-methylphenylthiocarbamate 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 3-chloro-4-methylphenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-isopropyl 3-chloro-4-methylphenylthiocarbamate 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 3-chloro-4-methylphenylthiocarbamate?
The CAS number of S-isopropyl 3-chloro-4-methylphenylthiocarbamate is 105907-35-5.
What is the molecular formula of S-isopropyl 3-chloro-4-methylphenylthiocarbamate?
The molecular formula of S-isopropyl 3-chloro-4-methylphenylthiocarbamate is C11H14ClNOS.
What is the molecular weight of S-isopropyl 3-chloro-4-methylphenylthiocarbamate?
The molecular weight of S-isopropyl 3-chloro-4-methylphenylthiocarbamate is 243.05 g/mol.
Where can I buy S-isopropyl 3-chloro-4-methylphenylthiocarbamate?
You can request a quote for S-isopropyl 3-chloro-4-methylphenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-isopropyl 3-chloro-4-methylphenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-isopropyl 3-chloro-4-methylphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.