![[(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile structure](/static/products/851/85106-72-5.png)
[(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile
TL;DR: [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile (CAS 85106-72-5) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyanilino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile|2-[(4-methoxyanilino)-methylsulfanylmethylidene]propanedinitrile|PROPANEDINITRILE,2-[[(4-METHOXYPHENYL)AMINO](METHYLTHIO)METHYLENE]-
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 85106-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=C(C#N)C#N)SC |
| InChIKey | UQAMNOXCOMCBCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile (CAS 85106-72-5), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 2-[(4-methoxyanilino)-methylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile
Property Insights of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile 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 [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile?
The CAS number of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile is 85106-72-5.
What is the molecular formula of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular formula of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile is C12H11N3OS.
What is the molecular weight of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular weight of [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile is 245.06 g/mol.
Where can I buy [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile?
You can request a quote for [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4-Methoxyanilino)(methylsulfanyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.