3-Amino-5-tert-butylthiophene-2-carbonitrile
TL;DR: 3-Amino-5-tert-butylthiophene-2-carbonitrile (CAS 677277-39-3) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-tert-butylthiophene-2-carbonitrile
Also Known As: 3-amino-5-tert-butylthiophene-2-carbonitrile, 3-amino-5-(tert-butyl)thiophene-2-carbonitrile, Maybridge1_003974, 2-Phenoxyphenylacetic acid, 5-tert-Butyl-3-aminothiophene-2-carbonitrile
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.49948 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 325.27823 |
Chemical Identifiers
| CAS Number | 677277-39-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(S1)C#N)N |
Product Overview
3-Amino-5-tert-butylthiophene-2-carbonitrile (CAS 677277-39-3), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 3-amino-5-tert-butylthiophene-2-carbonitrile.
Chemical Property Profile of 3-Amino-5-tert-butylthiophene-2-carbonitrile
Property Insights of 3-Amino-5-tert-butylthiophene-2-carbonitrile
The XLogP value of 2.49948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-tert-butylthiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 3-Amino-5-tert-butylthiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-tert-butylthiophene-2-carbonitrile has 1 hydrogen bond donor(s) and 3 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 3-Amino-5-tert-butylthiophene-2-carbonitrile?
The CAS number of 3-Amino-5-tert-butylthiophene-2-carbonitrile is 677277-39-3.
What is the molecular formula of 3-Amino-5-tert-butylthiophene-2-carbonitrile?
The molecular formula of 3-Amino-5-tert-butylthiophene-2-carbonitrile is C9H12N2S.
What is the molecular weight of 3-Amino-5-tert-butylthiophene-2-carbonitrile?
The molecular weight of 3-Amino-5-tert-butylthiophene-2-carbonitrile is 180.07 g/mol.
Where can I buy 3-Amino-5-tert-butylthiophene-2-carbonitrile?
You can request a quote for 3-Amino-5-tert-butylthiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-tert-butylthiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-tert-butylthiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.