5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile
TL;DR: 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile (CAS 5147-74-0) is a chemical compound with molecular formula C4H2N2S3 and molecular weight 173.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-sulfanylidenedithiole-4-carbonitrile
Also Known As: 5-amino-3-thioxo-3H-1,2-dithiole-4-carbonitrile, 2,4-Dimethoxytoluene, 5-Amino-3-thioxo-3H-(1,2)dithiole-4-carbonitrile, ZERO/005655, 3-amino-5-sulfanylidenedithiole-4-carbonitrile
| Molecular Formula | C4H2N2S3 |
|---|---|
| Molecular Weight | 173.94 g/mol |
| LogP | 1.99297 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.93802 |
| Heavy Atoms | 9 |
| Complexity | 302.34802 |
Chemical Identifiers
| CAS Number | 5147-74-0 |
|---|---|
| SMILES | C(#N)C1=C(SSC1=S)N |
Product Overview
5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile (CAS 5147-74-0), with molecular formula C4H2N2S3 and molecular weight 173.94 g/mol. IUPAC: 3-amino-5-sulfanylidenedithiole-4-carbonitrile.
Chemical Property Profile of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile
Property Insights of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile
The XLogP value of 1.99297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile?
The CAS number of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile is 5147-74-0.
What is the molecular formula of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile?
The molecular formula of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile is C4H2N2S3.
What is the molecular weight of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile?
The molecular weight of 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile is 173.94 g/mol.
Where can I buy 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile?
You can request a quote for 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.