Thioisobutyranilide
TL;DR: Thioisobutyranilide (CAS 7113-66-8) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-phenylpropanethioamide
Also Known As: thioisobutyranilide, 2-methyl-N-phenylpropanethioamide, 2-methyl-N-phenyl-propanethioamide, methyl-2 N-phenyl propanethioamide, Propanethioamide, 2-methyl-N-phenyl-
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 3.0819 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 253.8009 |
Chemical Identifiers
| CAS Number | 7113-66-8 |
|---|---|
| SMILES | CC(C)C(=S)NC1=CC=CC=C1 |
Product Overview
Thioisobutyranilide (CAS 7113-66-8), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 2-methyl-N-phenylpropanethioamide.
Chemical Property Profile of Thioisobutyranilide
Property Insights of Thioisobutyranilide
The XLogP value of 3.0819 indicates that Thioisobutyranilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Thioisobutyranilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioisobutyranilide has 1 hydrogen bond donor(s) and 1 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 Thioisobutyranilide?
The CAS number of Thioisobutyranilide is 7113-66-8.
What is the molecular formula of Thioisobutyranilide?
The molecular formula of Thioisobutyranilide is C10H13NS.
What is the molecular weight of Thioisobutyranilide?
The molecular weight of Thioisobutyranilide is 179.08 g/mol.
Where can I buy Thioisobutyranilide?
You can request a quote for Thioisobutyranilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioisobutyranilide?
Yes, KEHONG BIO provides custom synthesis services for Thioisobutyranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.