(1,3-Dithian-2-ylidene)propanedinitrile
TL;DR: (1,3-Dithian-2-ylidene)propanedinitrile (CAS 19607-50-2) is a chemical compound with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithian-2-ylidene)propanedinitrile
Also Known As: 2-(1,3-dithian-2-ylidene)propanedinitrile, (1,3-Dithian-2-ylidene)propanedinitrile, (1,3-Dithiane-2-ylidene)malononitrile, J3.701.423K
| Molecular Formula | C7H6N2S2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.99724 |
| Heavy Atoms | 11 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 19607-50-2 |
|---|---|
| SMILES | C1CSC(=C(C#N)C#N)SC1 |
| InChIKey | BUZGQJMXYBXGMF-UHFFFAOYSA-N |
Product Overview
(1,3-Dithian-2-ylidene)propanedinitrile (CAS 19607-50-2), with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol. IUPAC: 2-(1,3-dithian-2-ylidene)propanedinitrile.
Chemical Property Profile of (1,3-Dithian-2-ylidene)propanedinitrile
Property Insights of (1,3-Dithian-2-ylidene)propanedinitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dithian-2-ylidene)propanedinitrile. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dithian-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, (1,3-Dithian-2-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 4 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-Dithian-2-ylidene)propanedinitrile?
The CAS number of (1,3-Dithian-2-ylidene)propanedinitrile is 19607-50-2.
What is the molecular formula of (1,3-Dithian-2-ylidene)propanedinitrile?
The molecular formula of (1,3-Dithian-2-ylidene)propanedinitrile is C7H6N2S2.
What is the molecular weight of (1,3-Dithian-2-ylidene)propanedinitrile?
The molecular weight of (1,3-Dithian-2-ylidene)propanedinitrile is 182.00 g/mol.
Where can I buy (1,3-Dithian-2-ylidene)propanedinitrile?
You can request a quote for (1,3-Dithian-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dithian-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dithian-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.