![Bis[amino(phenylsulfanyl)methylidene]butanedinitrile structure](/static/products/1100/110059-07-9.webp)
Bis[amino(phenylsulfanyl)methylidene]butanedinitrile
TL;DR: Bis[amino(phenylsulfanyl)methylidene]butanedinitrile (CAS 110059-07-9) is a chemical compound with molecular formula C18H14N4S2 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Also Known As: 2,3-Bis[amino(phenylthio)methylene]butanedinitrile, bis[amino(phenylsulfanyl)methylidene]butanedinitrile, 2,3-bis(amino-phenylsulfanyl-methylidene)butanedinitrile, 2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile
| Molecular Formula | C18H14N4S2 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06598 |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 110059-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2)C#N)N |
| InChIKey | BDLRGKKVJJEYLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis[amino(phenylsulfanyl)methylidene]butanedinitrile (CAS 110059-07-9), with molecular formula C18H14N4S2 and molecular weight 350.07 g/mol. IUPAC: 2,3-bis[amino(phenylsulfanyl)methylidene]butanedinitrile.
Chemical Property Profile of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile
Property Insights of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile
The XLogP value of 3.4 indicates that Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Bis[amino(phenylsulfanyl)methylidene]butanedinitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[amino(phenylsulfanyl)methylidene]butanedinitrile has 2 hydrogen bond donor(s) and 6 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 Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
The CAS number of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is 110059-07-9.
What is the molecular formula of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
The molecular formula of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is C18H14N4S2.
What is the molecular weight of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
The molecular weight of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is 350.07 g/mol.
Where can I buy Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
You can request a quote for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.