1,3-Dithiolan-2-ylideneacetonitrile
TL;DR: 1,3-Dithiolan-2-ylideneacetonitrile (CAS 91357-46-9) is a chemical compound with molecular formula C5H5NS2 and molecular weight 142.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-ylidene)acetonitrile
Also Known As: 2-(1,3-dithiolan-2-ylidene)acetonitrile, LTNIMOFWTFIWHS-UHFFFAOYSA-, 1,3-dithiolan-2-ylideneacetonitrile, 1,3-Dithiolane-2-ylideneacetonitrile, (1,3-Dithiolane-2-ylidene)acetonitrile
| Molecular Formula | C5H5NS2 |
|---|---|
| Molecular Weight | 142.99 g/mol |
| LogP | 1.83138 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.98634 |
| Heavy Atoms | 8 |
| Complexity | 136.99788 |
Chemical Identifiers
| CAS Number | 91357-46-9 |
|---|---|
| SMILES | C1CSC(=CC#N)S1 |
Product Overview
1,3-Dithiolan-2-ylideneacetonitrile (CAS 91357-46-9), with molecular formula C5H5NS2 and molecular weight 142.99 g/mol. IUPAC: 2-(1,3-dithiolan-2-ylidene)acetonitrile.
Chemical Property Profile of 1,3-Dithiolan-2-ylideneacetonitrile
Property Insights of 1,3-Dithiolan-2-ylideneacetonitrile
The XLogP value of 1.83138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolan-2-ylideneacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 1,3-Dithiolan-2-ylideneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolan-2-ylideneacetonitrile 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
Frequently Asked Questions
What is the CAS number of 1,3-Dithiolan-2-ylideneacetonitrile?
The CAS number of 1,3-Dithiolan-2-ylideneacetonitrile is 91357-46-9.
What is the molecular formula of 1,3-Dithiolan-2-ylideneacetonitrile?
The molecular formula of 1,3-Dithiolan-2-ylideneacetonitrile is C5H5NS2.
What is the molecular weight of 1,3-Dithiolan-2-ylideneacetonitrile?
The molecular weight of 1,3-Dithiolan-2-ylideneacetonitrile is 142.99 g/mol.
Where can I buy 1,3-Dithiolan-2-ylideneacetonitrile?
You can request a quote for 1,3-Dithiolan-2-ylideneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolan-2-ylideneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolan-2-ylideneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.