5-(Methylthio)-1H-imidazole-4-carbothioamide
TL;DR: 5-(Methylthio)-1H-imidazole-4-carbothioamide (CAS 83256-01-3) is a chemical compound with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-1H-imidazole-5-carbothioamide
Also Known As: Ethyl N-p-Anisolylthioactimidate, 5-(Methylthio)-1H-imidazole-4-carbothioamide, NCI60_030210, 4-methylsulfanyl-1H-imidazole-5-carbothioamide, J1.486.038J
| Molecular Formula | C5H7N3S2 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 0.7658 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.00813 |
| Heavy Atoms | 10 |
| Complexity | 242.79604 |
Chemical Identifiers
| CAS Number | 83256-01-3 |
|---|---|
| SMILES | CSC1=C(NC=N1)C(=S)N |
Product Overview
5-(Methylthio)-1H-imidazole-4-carbothioamide (CAS 83256-01-3), with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol. IUPAC: 4-methylsulfanyl-1H-imidazole-5-carbothioamide.
Chemical Property Profile of 5-(Methylthio)-1H-imidazole-4-carbothioamide
Property Insights of 5-(Methylthio)-1H-imidazole-4-carbothioamide
The XLogP value of 0.7658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)-1H-imidazole-4-carbothioamide. With a topological polar surface area (TPSA) of 54.7 Ų, 5-(Methylthio)-1H-imidazole-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylthio)-1H-imidazole-4-carbothioamide has 2 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-(Methylthio)-1H-imidazole-4-carbothioamide?
The CAS number of 5-(Methylthio)-1H-imidazole-4-carbothioamide is 83256-01-3.
What is the molecular formula of 5-(Methylthio)-1H-imidazole-4-carbothioamide?
The molecular formula of 5-(Methylthio)-1H-imidazole-4-carbothioamide is C5H7N3S2.
What is the molecular weight of 5-(Methylthio)-1H-imidazole-4-carbothioamide?
The molecular weight of 5-(Methylthio)-1H-imidazole-4-carbothioamide is 173.01 g/mol.
Where can I buy 5-(Methylthio)-1H-imidazole-4-carbothioamide?
You can request a quote for 5-(Methylthio)-1H-imidazole-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)-1H-imidazole-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-1H-imidazole-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.