3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-
TL;DR: 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- (CAS 116171-03-0) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-2-methylsulfanylthiophene-3-carbonitrile
Also Known As: 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-, 4-Amino-5-benzoyl-2-(methylthio)thiophene-3-carbonitrile, 4-amino-5-benzoyl-2-methylsulfanylthiophene-3-carbonitrile, 4-amino-5-benzoyl-2-(methylsulfanyl)thiophene-3-carbonitrile, 4-amino-5-benzoyl-2-(methylsulfanyl)-3-thiophenecarbonitrile
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.15488 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 626.4311 |
Chemical Identifiers
| CAS Number | 116171-03-0 |
|---|---|
| SMILES | CSC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C#N |
Product Overview
3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- (CAS 116171-03-0), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: 4-amino-5-benzoyl-2-methylsulfanylthiophene-3-carbonitrile.
Chemical Property Profile of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-
Property Insights of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-
The XLogP value of 3.15488 indicates that 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-. Following Lipinski's Rule of Five, 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- has 1 hydrogen bond donor(s) and 5 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-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-?
The CAS number of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- is 116171-03-0.
What is the molecular formula of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-?
The molecular formula of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- is C13H10N2OS2.
What is the molecular weight of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-?
The molecular weight of 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- is 274.02 g/mol.
Where can I buy 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-?
You can request a quote for 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.