beta,beta'-Thiodipropionitrile
TL;DR: beta,beta'-Thiodipropionitrile (CAS 111-97-7) is a chemical compound with molecular formula C6H8N2S and molecular weight 140.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-cyanoethylsulfanyl)propanenitrile
Also Known As: 3,3'-Thiodipropionitrile, Thiodipropionitrile, Dicyanoethyl sulfide, 2-Cyanoethyl sulfide, Bis(2-cyanoethyl) sulfide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2S |
| Molecular Weight | 140.04082 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.04082 Da |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
| SMILES | C(CSCCC#N)C#N |
| InChIKey | NDVLTZFQVDXFAN-UHFFFAOYSA-N |
Product Description
Applications: beta,beta'-Thiodipropionitrile is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies beta,beta'-Thiodipropionitrile (CAS 111-97-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
beta,beta'-Thiodipropionitrile (CAS 111-97-7) is a organic building block with the molecular formula C6H8N2S and a molecular weight of 140.04 g/mol. It is also known as 3,3'-Thiodipropionitrile and Thiodipropionitrile.
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 beta,beta'-Thiodipropionitrile
Property Insights of beta,beta'-Thiodipropionitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta,beta'-Thiodipropionitrile. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for beta,beta'-Thiodipropionitrile. Following Lipinski's Rule of Five, beta,beta'-Thiodipropionitrile 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
What is the CAS number of beta,beta'-Thiodipropionitrile?
The CAS number of beta,beta'-Thiodipropionitrile is 111-97-7.
What is the molecular formula of beta,beta'-Thiodipropionitrile?
The molecular formula of beta,beta'-Thiodipropionitrile is C6H8N2S.
What is the molecular weight of beta,beta'-Thiodipropionitrile?
The molecular weight of beta,beta'-Thiodipropionitrile is 140.04082 g/mol.
What are the applications of beta,beta'-Thiodipropionitrile?
beta,beta'-Thiodipropionitrile is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy beta,beta'-Thiodipropionitrile?
You can request a quote for beta,beta'-Thiodipropionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta,beta'-Thiodipropionitrile?
Yes, CoreyChem provides custom synthesis services for beta,beta'-Thiodipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.