S-butyl 4-bromophenylthiocarbamate
TL;DR: S-butyl 4-bromophenylthiocarbamate (CAS 108540-54-1) is a chemical compound with molecular formula C11H14BrNOS and molecular weight 287.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl N-(4-bromophenyl)carbamothioate
Also Known As: S-butyl 4-bromophenylthiocarbamate, S-butyl n-(4-bromophenyl)thiocarbamate, S-butyl N-(4-bromophenyl)carbamothioate, N-(4-bromophenyl)(butylsulfanyl)formamide, N-(4-bromophenyl)-1-butylsulfanyl-formamide
| Molecular Formula | C11H14BrNOS |
|---|---|
| Molecular Weight | 287.00 g/mol |
| LogP | 4.5143 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.99796 |
| Heavy Atoms | 15 |
| Complexity | 312.8689 |
Chemical Identifiers
| CAS Number | 108540-54-1 |
|---|---|
| SMILES | CCCCSC(=O)NC1=CC=C(C=C1)Br |
Product Overview
S-butyl 4-bromophenylthiocarbamate (CAS 108540-54-1), with molecular formula C11H14BrNOS and molecular weight 287.00 g/mol. IUPAC: S-butyl N-(4-bromophenyl)carbamothioate.
Chemical Property Profile of S-butyl 4-bromophenylthiocarbamate
Property Insights of S-butyl 4-bromophenylthiocarbamate
The XLogP value of 4.5143 indicates that S-butyl 4-bromophenylthiocarbamate 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-butyl 4-bromophenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl 4-bromophenylthiocarbamate 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-butyl 4-bromophenylthiocarbamate?
The CAS number of S-butyl 4-bromophenylthiocarbamate is 108540-54-1.
What is the molecular formula of S-butyl 4-bromophenylthiocarbamate?
The molecular formula of S-butyl 4-bromophenylthiocarbamate is C11H14BrNOS.
What is the molecular weight of S-butyl 4-bromophenylthiocarbamate?
The molecular weight of S-butyl 4-bromophenylthiocarbamate is 287.00 g/mol.
Where can I buy S-butyl 4-bromophenylthiocarbamate?
You can request a quote for S-butyl 4-bromophenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl 4-bromophenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl 4-bromophenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.