5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile
TL;DR: 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile (CAS 907546-68-3) is a chemical compound with molecular formula C4H4N4S and molecular weight 140.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-sulfanylidene-1,3-dihydroimidazole-4-carbonitrile
Also Known As: NCI60_023426, 5-amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile, 1H-Imidazole-4-carbonitrile,5-amino-2,3-dihydro-2-thioxo-, 5-Amino-2-thioxo-2,3-dihydro-1H-imidazole-4-carbonitrile, 1H-Imidazole-4-carbonitrile, 5-amino-2,3-dihydro-2-thioxo-
| Molecular Formula | C4H4N4S |
|---|---|
| Molecular Weight | 140.02 g/mol |
| LogP | 0.52617 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.01567 |
| Heavy Atoms | 9 |
| Complexity | 301.1029 |
Chemical Identifiers
| CAS Number | 907546-68-3 |
|---|---|
| SMILES | C(#N)C1=C(NC(=S)N1)N |
Product Overview
5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile (CAS 907546-68-3), with molecular formula C4H4N4S and molecular weight 140.02 g/mol. IUPAC: 5-amino-2-sulfanylidene-1,3-dihydroimidazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile
Property Insights of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile
The XLogP value of 0.52617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile has 3 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 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile?
The CAS number of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile is 907546-68-3.
What is the molecular formula of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile?
The molecular formula of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile is C4H4N4S.
What is the molecular weight of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile?
The molecular weight of 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile is 140.02 g/mol.
Where can I buy 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile?
You can request a quote for 5-Amino-2-thioxo-1,3-dihydroimidazole-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-2-thioxo-1,3-dihydroimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.