Acetonitrile, 2-(dodecylthio)-
TL;DR: Acetonitrile, 2-(dodecylthio)- (CAS 51956-42-4) is a chemical compound with molecular formula C14H27NS and molecular weight 241.18642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-dodecylsulfanylacetonitrile
Also Known As: (Dodecylthio)acetonitrile, DODECYLTHIOACETONITRILE, Acetonitrile, (dodecylthio)-, 2-dodecylsulfanylacetonitrile, Acetonitrile, 2-(dodecylthio)-
Technical Specifications
| Molecular Formula | C14H27NS |
| Molecular Weight | 241.18642 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 241.18642 Da |
| Heavy Atoms | 16 |
| Complexity | 171.0 |
| SMILES | CCCCCCCCCCCCSCC#N |
| InChIKey | INBMWUQPDJOXCH-UHFFFAOYSA-N |
Chemical Property Profile of Acetonitrile, 2-(dodecylthio)-
Property Insights of Acetonitrile, 2-(dodecylthio)-
The XLogP value of 6.2 indicates that Acetonitrile, 2-(dodecylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Acetonitrile, 2-(dodecylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, 2-(dodecylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetonitrile, 2-(dodecylthio)-?
The CAS number of Acetonitrile, 2-(dodecylthio)- is 51956-42-4.
What is the molecular formula of Acetonitrile, 2-(dodecylthio)-?
The molecular formula of Acetonitrile, 2-(dodecylthio)- is C14H27NS.
What is the molecular weight of Acetonitrile, 2-(dodecylthio)-?
The molecular weight of Acetonitrile, 2-(dodecylthio)- is 241.18642 g/mol.
Where can I buy Acetonitrile, 2-(dodecylthio)-?
You can request a quote for Acetonitrile, 2-(dodecylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetonitrile, 2-(dodecylthio)-?
Yes, CoreyChem provides custom synthesis services for Acetonitrile, 2-(dodecylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.