2-Cyano-3-iminobutanedithioic acid
TL;DR: 2-Cyano-3-iminobutanedithioic acid (CAS 64247-47-8) is a chemical compound with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-iminobutanedithioic acid
Also Known As: 2-Cyano-3-iminobutanedithioic acid, 2-cyano-3-imino-butanedithioic acid, Butane(dithioic) acid, 2-cyano-3-imino-
| Molecular Formula | C5H6N2S2 |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.99724 |
| Heavy Atoms | 9 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 64247-47-8 |
|---|---|
| SMILES | CC(=N)C(C#N)C(=S)S |
| InChIKey | ANIYBTHRXYUGCN-UHFFFAOYSA-N |
Product Overview
2-Cyano-3-iminobutanedithioic acid (CAS 64247-47-8), with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol. IUPAC: 2-cyano-3-iminobutanedithioic acid.
Chemical Property Profile of 2-Cyano-3-iminobutanedithioic acid
Property Insights of 2-Cyano-3-iminobutanedithioic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-iminobutanedithioic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-iminobutanedithioic acid. Following Lipinski's Rule of Five, 2-Cyano-3-iminobutanedithioic acid has 2 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 2-Cyano-3-iminobutanedithioic acid?
The CAS number of 2-Cyano-3-iminobutanedithioic acid is 64247-47-8.
What is the molecular formula of 2-Cyano-3-iminobutanedithioic acid?
The molecular formula of 2-Cyano-3-iminobutanedithioic acid is C5H6N2S2.
What is the molecular weight of 2-Cyano-3-iminobutanedithioic acid?
The molecular weight of 2-Cyano-3-iminobutanedithioic acid is 158.00 g/mol.
Where can I buy 2-Cyano-3-iminobutanedithioic acid?
You can request a quote for 2-Cyano-3-iminobutanedithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-iminobutanedithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-iminobutanedithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.