S-butyl 3-methylphenylthiocarbamate
TL;DR: S-butyl 3-methylphenylthiocarbamate (CAS 17425-22-8) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl N-(3-methylphenyl)carbamothioate
Also Known As: s-butyl n-(m-tolyl)thiocarbamate, S-butyl 3-methylphenylthiocarbamate, S-butyl N-(3-methylphenyl)carbamothioate, 1-butylsulfanyl-N-(3-methylphenyl)formamide
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 4.06022 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 325.15308 |
Chemical Identifiers
| CAS Number | 17425-22-8 |
|---|---|
| SMILES | CCCCSC(=O)NC1=CC=CC(=C1)C |
Product Overview
S-butyl 3-methylphenylthiocarbamate (CAS 17425-22-8), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: S-butyl N-(3-methylphenyl)carbamothioate.
Chemical Property Profile of S-butyl 3-methylphenylthiocarbamate
Property Insights of S-butyl 3-methylphenylthiocarbamate
The XLogP value of 4.06022 indicates that S-butyl 3-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-butyl 3-methylphenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl 3-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-butyl 3-methylphenylthiocarbamate?
The CAS number of S-butyl 3-methylphenylthiocarbamate is 17425-22-8.
What is the molecular formula of S-butyl 3-methylphenylthiocarbamate?
The molecular formula of S-butyl 3-methylphenylthiocarbamate is C12H17NOS.
What is the molecular weight of S-butyl 3-methylphenylthiocarbamate?
The molecular weight of S-butyl 3-methylphenylthiocarbamate is 223.10 g/mol.
Where can I buy S-butyl 3-methylphenylthiocarbamate?
You can request a quote for S-butyl 3-methylphenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl 3-methylphenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl 3-methylphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.