1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
TL;DR: 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene (CAS 109511-58-2) is a chemical compound with molecular formula C18H16N6S2 and molecular weight 380.0878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile
Also Known As: KBio2_000564, KBio2_003132, KBio2_005700, KBio3_001007, KBio3_001008
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H16N6S2 |
| Molecular Weight | 380.0878 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0878 Da |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
| SMILES | C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N |
| InChIKey | DVEXZJFMOKTQEZ-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene 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).
1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene (CAS 109511-58-2) is a pharmaceutical intermediate with the molecular formula C18H16N6S2 and a molecular weight of 380.09 g/mol. Synonyms include CBiol_002052 and KBioGR_000564.
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 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
Property Insights of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene. The TPSA of 202.0 Ų indicates high polarity, suggesting 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The CAS number of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is 109511-58-2.
What is the molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The molecular formula of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is C18H16N6S2.
What is the molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
The molecular weight of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene is 380.0878 g/mol.
What are the applications of 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene 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...
Where can I buy 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
You can request a quote for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene?
Yes, CoreyChem provides custom synthesis services for 1,4-Diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.