S-butyl phenylthiocarbamate
TL;DR: S-butyl phenylthiocarbamate (CAS 17425-13-7) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl N-phenylcarbamothioate
Also Known As: S-butyl phenylthiocarbamate, S-Butyl phenylcarbamothioate, N-Phenyl(butylthio)formamide, N-phenyl(butylsulfanyl)formamide, S-butyl N-phenylcarbamothioate
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 17425-13-7 |
|---|---|
| SMILES | CCCCSC(=O)NC1=CC=CC=C1 |
| InChIKey | RBMBWWIPNLXVQS-UHFFFAOYSA-N |
Product Overview
S-butyl phenylthiocarbamate (CAS 17425-13-7), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: S-butyl N-phenylcarbamothioate.
Chemical Property Profile of S-butyl phenylthiocarbamate
Property Insights of S-butyl phenylthiocarbamate
The XLogP value of 3.3 indicates that S-butyl phenylthiocarbamate 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 phenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl phenylthiocarbamate 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 phenylthiocarbamate?
The CAS number of S-butyl phenylthiocarbamate is 17425-13-7.
What is the molecular formula of S-butyl phenylthiocarbamate?
The molecular formula of S-butyl phenylthiocarbamate is C11H15NOS.
What is the molecular weight of S-butyl phenylthiocarbamate?
The molecular weight of S-butyl phenylthiocarbamate is 209.09 g/mol.
Where can I buy S-butyl phenylthiocarbamate?
You can request a quote for S-butyl phenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl phenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl phenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.