2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
TL;DR: 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 108934-21-0) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-amino-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2'-Methyl-biphenyl-4-carbaldehyde, F1174-3131, 2-amino-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C15H14N2S |
| Molecular Weight | 254.08777 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.08777 Da |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
| SMILES | C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)N |
| InChIKey | ZQJVUOUXDIKOII-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Property Insights of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
The XLogP value of 4.1 indicates that 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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
What is the CAS number of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The CAS number of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 108934-21-0.
What is the molecular formula of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular formula of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is C15H14N2S.
What is the molecular weight of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular weight of 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 254.08777 g/mol.
Where can I buy 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
You can request a quote for 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.