Propanedinitrile, 1,3-dithietan-2-ylidene-
TL;DR: Propanedinitrile, 1,3-dithietan-2-ylidene- (CAS 6008-60-2) is a chemical compound with molecular formula C5H2N2S2 and molecular weight 153.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithietan-2-ylidene)propanedinitrile
Also Known As: Solvent Blue 58, C.I. Solvent Blue 58, Propanedinitrile, 1,3-dithietan-2-ylidene-, 1,3-dithietan-2-ylidenemalononitrile, 2-Dicyanmethylen-1,3-dithietan
| Molecular Formula | C5H2N2S2 |
|---|---|
| Molecular Weight | 153.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.96594 |
| Heavy Atoms | 9 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6008-60-2 |
|---|---|
| SMILES | C1SC(=C(C#N)C#N)S1 |
| InChIKey | ZKJSHCHPIMUIFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 1,3-dithietan-2-ylidene- (CAS 6008-60-2), with molecular formula C5H2N2S2 and molecular weight 153.97 g/mol. IUPAC: 2-(1,3-dithietan-2-ylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, 1,3-dithietan-2-ylidene-
Property Insights of Propanedinitrile, 1,3-dithietan-2-ylidene-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 1,3-dithietan-2-ylidene-. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 1,3-dithietan-2-ylidene-. Following Lipinski's Rule of Five, Propanedinitrile, 1,3-dithietan-2-ylidene- 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 Propanedinitrile, 1,3-dithietan-2-ylidene-?
The CAS number of Propanedinitrile, 1,3-dithietan-2-ylidene- is 6008-60-2.
What is the molecular formula of Propanedinitrile, 1,3-dithietan-2-ylidene-?
The molecular formula of Propanedinitrile, 1,3-dithietan-2-ylidene- is C5H2N2S2.
What is the molecular weight of Propanedinitrile, 1,3-dithietan-2-ylidene-?
The molecular weight of Propanedinitrile, 1,3-dithietan-2-ylidene- is 153.97 g/mol.
Where can I buy Propanedinitrile, 1,3-dithietan-2-ylidene-?
You can request a quote for Propanedinitrile, 1,3-dithietan-2-ylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 1,3-dithietan-2-ylidene-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 1,3-dithietan-2-ylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.