![2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile structure](/static/products/3314/331459-71-3.webp)
2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile
TL;DR: 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile (CAS 331459-71-3) 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-methyl-5-(thiophen-2-ylmethylideneamino)benzonitrile
Also Known As: 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile, 2-methyl-5-(thiophen-2-ylmethylideneamino)benzonitrile, 2-methyl-5-[(E)-[(thiophen-2-yl)methylidene]amino]benzonitrile
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.6788 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 547.8067 |
Chemical Identifiers
| CAS Number | 331459-71-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=CC2=CC=CS2)C#N |
Product Overview
2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile (CAS 331459-71-3), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 2-methyl-5-(thiophen-2-ylmethylideneamino)benzonitrile.
Chemical Property Profile of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile
Property Insights of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile
The XLogP value of 3.6788 indicates that 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.15 Ų, 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile has 0 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-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile?
The CAS number of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile is 331459-71-3.
What is the molecular formula of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile?
The molecular formula of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile is C13H10N2S.
What is the molecular weight of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile?
The molecular weight of 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile is 226.06 g/mol.
Where can I buy 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile?
You can request a quote for 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-{[(E)-2-thienylmethylidene]amino}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.