![3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile structure](/static/products/7401/74013-15-3.webp)
3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile
TL;DR: 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile (CAS 74013-15-3) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(benzylideneamino)-5-methylsulfanylthiophene-2-carbonitrile
Also Known As: 3-amino-4-(benzylideneamino)-5-methylsulfanylthiophene-2-car, 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile, 3-amino-4-(benzylideneamino)-5-methylsulfanyl-thiophene-2-carbonitrile, 3-amino-4-(benzylideneamino)-5-methylsulfanylthiophene-2-carbonitrile
| Molecular Formula | C13H11N3S2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03943 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 74013-15-3 |
|---|---|
| SMILES | CSC1=C(C(=C(S1)C#N)N)N=CC2=CC=CC=C2 |
| InChIKey | JUPAVQPPAQADQB-UHFFFAOYSA-N |
Product Overview
3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile (CAS 74013-15-3), with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol. IUPAC: 3-amino-4-(benzylideneamino)-5-methylsulfanylthiophene-2-carbonitrile.
Chemical Property Profile of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile
Property Insights of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile
The XLogP value of 3.7 indicates that 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile 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-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile?
The CAS number of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile is 74013-15-3.
What is the molecular formula of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile?
The molecular formula of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile is C13H11N3S2.
What is the molecular weight of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile?
The molecular weight of 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile is 273.04 g/mol.
Where can I buy 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile?
You can request a quote for 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-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-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-[(E)-benzylideneamino]-5-(methylsulfanyl)thiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.