N-Tert-butyl-2-thiophenecarboxamide
TL;DR: N-Tert-butyl-2-thiophenecarboxamide (CAS 90642-98-1) is a chemical compound with molecular formula C9H13NOS and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butylthiophene-2-carboxamide
Also Known As: N-tert-butylthiophene-2-carboxamide, N-(tert-butyl)-2-thiophenecarboxamide, ChemDiv2_003150, N-(tert-Butyl)thiophene-2-carboxamide, N-tert-butyl-2-thiophenecarboxamide
| Molecular Formula | C9H13NOS |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 2.2764 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0718 |
| Heavy Atoms | 12 |
| Complexity | 258.55594 |
Chemical Identifiers
| CAS Number | 90642-98-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=CS1 |
Product Overview
N-Tert-butyl-2-thiophenecarboxamide (CAS 90642-98-1), with molecular formula C9H13NOS and molecular weight 183.07 g/mol. IUPAC: N-tert-butylthiophene-2-carboxamide.
Chemical Property Profile of N-Tert-butyl-2-thiophenecarboxamide
Property Insights of N-Tert-butyl-2-thiophenecarboxamide
The XLogP value of 2.2764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Tert-butyl-2-thiophenecarboxamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Tert-butyl-2-thiophenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Tert-butyl-2-thiophenecarboxamide 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 N-Tert-butyl-2-thiophenecarboxamide?
The CAS number of N-Tert-butyl-2-thiophenecarboxamide is 90642-98-1.
What is the molecular formula of N-Tert-butyl-2-thiophenecarboxamide?
The molecular formula of N-Tert-butyl-2-thiophenecarboxamide is C9H13NOS.
What is the molecular weight of N-Tert-butyl-2-thiophenecarboxamide?
The molecular weight of N-Tert-butyl-2-thiophenecarboxamide is 183.07 g/mol.
Where can I buy N-Tert-butyl-2-thiophenecarboxamide?
You can request a quote for N-Tert-butyl-2-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Tert-butyl-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-Tert-butyl-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.