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2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile
TL;DR: 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile (CAS 37071-20-8) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dihydrobenzo[e][1]benzothiole-1-carbonitrile
Also Known As: 2-amino-4H,5H-naphtho[2,1-b]thiophene-1-carbonitrile, 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile, 2-amino-4,5-dihydrobenzo[e][1]benzothiole-1-carbonitrile, AB00370781-04, 2-amino-1-cyano-4,5-dihydronaphtho[2,1-b]thiophene
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 37071-20-8 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)C(=C(S2)N)C#N |
| InChIKey | KMUDCZOBMKTNNP-UHFFFAOYSA-N |
Product Overview
2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile (CAS 37071-20-8), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 2-amino-4,5-dihydrobenzo[e][1]benzothiole-1-carbonitrile.
Chemical Property Profile of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile
Property Insights of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile
The XLogP value of 3.5 indicates that 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-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-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-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 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile?
The CAS number of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile is 37071-20-8.
What is the molecular formula of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile?
The molecular formula of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile is C13H10N2S.
What is the molecular weight of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile?
The molecular weight of 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile is 226.06 g/mol.
Where can I buy 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile?
You can request a quote for 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.