S-butyl 3-chlorophenylthiocarbamate
TL;DR: S-butyl 3-chlorophenylthiocarbamate (CAS 10129-36-9) is a chemical compound with molecular formula C11H14ClNOS and molecular weight 243.04846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-butyl N-(3-chlorophenyl)carbamothioate
Also Known As: S-butyl 3-chlorophenylthiocarbamate, S-butyl n-(3-chlorophenyl)thiocarbamate, S-butyl N-(3-chlorophenyl)carbamothioate, N-(3-chlorophenyl)(butylsulfanyl)formamide, 1-butylsulfanyl-N-(3-chlorophenyl)formamide
Technical Specifications
| Molecular Formula | C11H14ClNOS |
| Molecular Weight | 243.04846 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.04846 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | CCCCSC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | NBHJWJOHESILTL-UHFFFAOYSA-N |
Chemical Property Profile of S-butyl 3-chlorophenylthiocarbamate
Property Insights of S-butyl 3-chlorophenylthiocarbamate
The XLogP value of 4.3 indicates that S-butyl 3-chlorophenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-butyl 3-chlorophenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl 3-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
What is the CAS number of S-butyl 3-chlorophenylthiocarbamate?
The CAS number of S-butyl 3-chlorophenylthiocarbamate is 10129-36-9.
What is the molecular formula of S-butyl 3-chlorophenylthiocarbamate?
The molecular formula of S-butyl 3-chlorophenylthiocarbamate is C11H14ClNOS.
What is the molecular weight of S-butyl 3-chlorophenylthiocarbamate?
The molecular weight of S-butyl 3-chlorophenylthiocarbamate is 243.04846 g/mol.
Where can I buy S-butyl 3-chlorophenylthiocarbamate?
You can request a quote for S-butyl 3-chlorophenylthiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-butyl 3-chlorophenylthiocarbamate?
Yes, CoreyChem provides custom synthesis services for S-butyl 3-chlorophenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.