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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 350.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H14N4S2 |
| Molecular Weight | 350.06598 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06598 Da |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
| SMILES | C1=CC=C(C=C1)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2)C#N)N |
| InChIKey | BDLRGKKVJJEYLC-UHFFFAOYSA-N |
Product Description
Applications: Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Bis[amino(phenylsulfanyl)methylidene]butanedinitrile (CAS 110059-07-9) is a pharmaceutical intermediate with the molecular formula C18H14N4S2 and a molecular weight of 350.07 g/mol. Synonyms include 2,3-Bis[amino(phenylthio)methylene]butanedinitrile and bis[amino(phenylsulfanyl)methylidene]butanedinitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 350.06598 g/mol.
What are the applications of Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
Bis[amino(phenylsulfanyl)methylidene]butanedinitrile is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
You can request a quote for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile?
Yes, CoreyChem provides custom synthesis services for Bis[amino(phenylsulfanyl)methylidene]butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.