1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-
TL;DR: 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- (CAS 13953-95-2) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde
Also Known As: 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-, 4-Formyl-1,3-dihydro-2H-imidazole-2-thione, 2-Thioxo-2,3-dihydro-1H-imidazole-4-carbaldehyde, 4-Formyl-1,3(2H)-dihydroimidazole-2-thione, 2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 0.88479 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 236.18639 |
Chemical Identifiers
| CAS Number | 13953-95-2 |
|---|---|
| SMILES | C1=C(NC(=S)N1)C=O |
Product Overview
1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- (CAS 13953-95-2), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde.
Chemical Property Profile of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-
Property Insights of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-
The XLogP value of 0.88479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-. With a topological polar surface area (TPSA) of 48.65 Ų, 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- has 2 hydrogen bond donor(s) and 2 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 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-?
The CAS number of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- is 13953-95-2.
What is the molecular formula of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-?
The molecular formula of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- is C4H4N2OS.
What is the molecular weight of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-?
The molecular weight of 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- is 128.00 g/mol.
Where can I buy 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-?
You can request a quote for 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.